3-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol

CAS: 866135-64-0

Formula: C15H19F3N2O3

SMILES: OC(CN1CCN(CC2=CC3=C(OCO3)C=C2)CC1)C(F)(F)F

IUPAC: 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1,1,1-trifluoropropan-2-ol

InChI: InChI=1/C15H19F3N2O3/c16-15(17,18)14(21)9-20-5-3-19(4-6-20)8-11-1-2-12-13(7-11)23-10-22-12/h1-2,7,14,21H,3-6,8-10H2

Composition: C (54.21%), H (5.76%), F (17.15%), N (8.43%), O (14.44%)

Molar Mass: 332.323

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	332.134776969
Formal Charge	0
FSP3	0.6
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BEHQKWKSWQEMJF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.83
Topological Polar Surface Area	45.17
Polarizability	29.81
Ring Count	3
Rotatable Bond Count	5

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