[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride

C14H23ClN2S — CID 119915525

IUPAC[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(CCSc2ccccc2)C1
InChIInChI=1S/C14H22N2S.ClH/c15-11-13-5-4-8-16(12-13)9-10-17-14-6-2-1-3-7-14;/h1-3,6-7,13H,4-5,8-12,15H2;1H
InChIKeyKQBHNBHYHQWWTF-UHFFFAOYSA-N
MW286.87 g/mol
LogP2.87
Rot. Bonds5

About [1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride

[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119915525) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is [1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
PubChem CID119915525
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(CCSc2ccccc2)C1
InChIInChI=1S/C14H22N2S.ClH/c15-11-13-5-4-8-16(12-13)9-10-17-14-6-2-1-3-7-14;/h1-3,6-7,13H,4-5,8-12,15H2;1H
InChIKeyKQBHNBHYHQWWTF-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553364
N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine
CID 63267521
1-[(3R)-1-(2-phenylsulfanylethyl)piperidin-3-yl]imidazolidin-2-one
CID 95771278
(1R,5S)-3-(2-phenylsulfanylethyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 122561047
[1-[(E)-4-phenylbut-3-enyl]piperidin-3-yl]methanamine
CID 66570063
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride (CID 119915525) is [1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(CCSc2ccccc2)C1.
What is the InChIKey of [1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is KQBHNBHYHQWWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S.ClH/c15-11-13-5-4-8-16(12-13)9-10-17-14-6-2-1-3-7-14;/h1-3,6-7,13H,4-5,8-12,15H2;1H.
What are the key properties of [1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride?
[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 286.87 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119915525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).