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piperoxan hydrochloride

piperoxan hydrochloride

CAS: 135-87-5

Formula: C14H20ClNO2

SMILES: Cl[H].C(C1COC2=CC=CC=C2O1)N1CCCCC1

IUPAC: 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperidine hydrochloride

InChI: InChI=1/C14H19NO2.ClH/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12;/h2-3,6-7,12H,1,4-5,8-11H2;1H

Composition: C (62.33%), H (7.47%), Cl (13.14%), N (5.19%), O (11.86%)

Molar Mass: 269.77

Atom Count: 38

Heavy Atom Count: 18

Properties
Properties
Common Names piperoxan hydrochloride
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 269.1182566
Formal Charge 0
FSP3 0.57
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BITRJBQGQMGGQI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.85
Topological Polar Surface Area 21.7
Polarizability 26.48
Ring Count 3
Rotatable Bond Count 2

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