(2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride

C21H24ClN3 — CID 67619110

IUPAC(2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride
SMILESCl.c1ccc([C@@H]2NCCC[C@@H]2NCc2cccc3cccnc23)cc1
InChIInChI=1S/C21H23N3.ClH/c1-2-7-17(8-3-1)21-19(12-6-14-23-21)24-15-18-10-4-9-16-11-5-13-22-20(16)18;/h1-5,7-11,13,19,21,23-24H,6,12,14-15H2;1H/t19-,21-;/m0./s1
InChIKeyNIVMGIFILNTLME-RQBPZYBGSA-N
MW353.90 g/mol
LogP4.24
Rot. Bonds4

About (2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride

(2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride (PubChem CID 67619110) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride
PubChem CID67619110
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name(2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride
SMILESCl.c1ccc([C@@H]2NCCC[C@@H]2NCc2cccc3cccnc23)cc1
InChIInChI=1S/C21H23N3.ClH/c1-2-7-17(8-3-1)21-19(12-6-14-23-21)24-15-18-10-4-9-16-11-5-13-22-20(16)18;/h1-5,7-11,13,19,21,23-24H,6,12,14-15H2;1H/t19-,21-;/m0./s1
InChIKeyNIVMGIFILNTLME-RQBPZYBGSA-N
XLogP4.24
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
2-methoxy-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 79032067
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54131867
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 19696661
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 57158531
3-(quinolin-8-ylmethylamino)piperidin-2-one
CID 55033199
(2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
CID 54192151
2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol
CID 11695097

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride?
The IUPAC name of (2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride (CID 67619110) is (2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for (2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for (2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride is Cl.c1ccc([C@@H]2NCCC[C@@H]2NCc2cccc3cccnc23)cc1.
What is the InChIKey of (2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride?
The InChIKey is NIVMGIFILNTLME-RQBPZYBGSA-N. The full InChI is InChI=1S/C21H23N3.ClH/c1-2-7-17(8-3-1)21-19(12-6-14-23-21)24-15-18-10-4-9-16-11-5-13-22-20(16)18;/h1-5,7-11,13,19,21,23-24H,6,12,14-15H2;1H/t19-,21-;/m0./s1.
What are the key properties of (2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride?
(2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride has a molecular weight of 353.90 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 67619110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).