N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride

C24H27ClN2O — CID 19696661

IUPACN-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
SMILESCl.c1ccc(Oc2ccccc2CNC2CCCNC2c2ccccc2)cc1
InChIInChI=1S/C24H26N2O.ClH/c1-3-10-19(11-4-1)24-22(15-9-17-25-24)26-18-20-12-7-8-16-23(20)27-21-13-5-2-6-14-21;/h1-8,10-14,16,22,24-26H,9,15,17-18H2;1H
InChIKeyLXYFZDFLBBPUER-UHFFFAOYSA-N
MW394.95 g/mol
LogP5.48
Rot. Bonds6

About N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride

N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride (PubChem CID 19696661) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
PubChem CID19696661
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC NameN-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
SMILESCl.c1ccc(Oc2ccccc2CNC2CCCNC2c2ccccc2)cc1
InChIInChI=1S/C24H26N2O.ClH/c1-3-10-19(11-4-1)24-22(15-9-17-25-24)26-18-20-12-7-8-16-23(20)27-21-13-5-2-6-14-21;/h1-8,10-14,16,22,24-26H,9,15,17-18H2;1H
InChIKeyLXYFZDFLBBPUER-UHFFFAOYSA-N
XLogP5.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54131867
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 67820293
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 57158531

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride?
The IUPAC name of N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride (CID 19696661) is N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride?
The canonical SMILES for N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride is Cl.c1ccc(Oc2ccccc2CNC2CCCNC2c2ccccc2)cc1.
What is the InChIKey of N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride?
The InChIKey is LXYFZDFLBBPUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O.ClH/c1-3-10-19(11-4-1)24-22(15-9-17-25-24)26-18-20-12-7-8-16-23(20)27-21-13-5-2-6-14-21;/h1-8,10-14,16,22,24-26H,9,15,17-18H2;1H.
What are the key properties of N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride?
N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 19696661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).