(1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane

C19H21NO — CID 67787812

IUPAC(1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane
SMILESc1ccc(C(OC2[C@H]3CC[C@@H]2NC3)c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)21-19-16-11-12-17(19)20-13-16/h1-10,16-20H,11-13H2/t16-,17-,19?/m0/s1
InChIKeyCEZCXYJYFIASJP-YGYNJSFOSA-N
MW279.38 g/mol
LogP3.54
Rot. Bonds4

About (1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane

(1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane (PubChem CID 67787812) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane
PubChem CID67787812
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane
SMILESc1ccc(C(OC2[C@H]3CC[C@@H]2NC3)c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)21-19-16-11-12-17(19)20-13-16/h1-10,16-20H,11-13H2/t16-,17-,19?/m0/s1
InChIKeyCEZCXYJYFIASJP-YGYNJSFOSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzhydryloxyazetidine;hydrochloride
CID 131885172
2-benzhydryloxypiperidine
CID 156697683
3-benzhydryloxypiperidine
CID 2762417
4-benzhydryloxythiane
CID 826489
2-azabicyclo[2.2.1]heptan-7-yl 2-hydroxy-2-(4-methylphenyl)-2-[2-[(1R)-1-phenylethyl]phenyl]acetate
CID 24894820
4-benzhydryloxy-1-propan-2-ylpiperidine
CID 59898734
3-[(4-chlorophenyl)-phenylmethoxy]azetidine
CID 131865154
[(1S)-2-azabicyclo[2.2.1]heptan-7-yl] 2-(3-hydroxythiophen-2-yl)-2,3-diphenylbutanoate
CID 24894818
(1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane
CID 122467029
4-[(4-methylphenyl)-phenylmethoxy]piperidine
CID 10265745
4-[(R)-(4-chlorophenyl)-phenylmethoxy]piperidine
CID 93492477
4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride
CID 19874359

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane (CID 67787812) is (1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane is c1ccc(C(OC2[C@H]3CC[C@@H]2NC3)c2ccccc2)cc1.
What is the InChIKey of (1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane?
The InChIKey is CEZCXYJYFIASJP-YGYNJSFOSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)21-19-16-11-12-17(19)20-13-16/h1-10,16-20H,11-13H2/t16-,17-,19?/m0/s1.
What are the key properties of (1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane?
(1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane has a molecular weight of 279.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-7-benzhydryloxy-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 67787812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).