tert-butyl N-({1-[4-(hydroxymethyl)phenyl]pyrrolidin-3-yl}methyl)carbamate

tert-butyl N-({1-[4-(hydroxymethyl)phenyl]pyrrolidin-3-yl}methyl)carbamate

CAS: 1260783-56-9

Formula: C17H26N2O3

SMILES: CC(C)(C)OC(=O)NCC1CCN(C1)C1=CC=C(CO)C=C1

IUPAC: tert-butyl N-({1-[4-(hydroxymethyl)phenyl]pyrrolidin-3-yl}methyl)carbamate

InChI: InChI=1/C17H26N2O3/c1-17(2,3)22-16(21)18-10-14-8-9-19(11-14)15-6-4-13(12-20)5-7-15/h4-7,14,20H,8-12H2,1-3H3,(H,18,21)

Composition: C (66.64%), H (8.55%), N (9.14%), O (15.66%)

Molar Mass: 306.406

Atom Count: 48

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	306.194342705
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WYURFKOWJOGOQA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.68
Topological Polar Surface Area	61.8
Polarizability	33.51
Ring Count	2
Rotatable Bond Count	6

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