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

C15H25ClN2S — CID 119925370

IUPAC1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(CCSc2ccccc2)C1.Cl
InChIInChI=1S/C15H24N2S.ClH/c1-13(16)14-6-5-9-17(12-14)10-11-18-15-7-3-2-4-8-15;/h2-4,7-8,13-14H,5-6,9-12,16H2,1H3;1H
InChIKeyATWJIBJIAJHCSI-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.26
Rot. Bonds5

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

1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119925370) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
PubChem CID119925370
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(CCSc2ccccc2)C1.Cl
InChIInChI=1S/C15H24N2S.ClH/c1-13(16)14-6-5-9-17(12-14)10-11-18-15-7-3-2-4-8-15;/h2-4,7-8,13-14H,5-6,9-12,16H2,1H3;1H
InChIKeyATWJIBJIAJHCSI-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine
CID 113360749
[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119915525
3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925518
1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
CID 79315398
3-methyl-1-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223382
1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120840968
1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine
CID 63845047
(1R,5S)-3-(2-phenylsulfanylethyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 122561047

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride (CID 119925370) is 1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCCN(CCSc2ccccc2)C1.Cl.
What is the InChIKey of 1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is ATWJIBJIAJHCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S.ClH/c1-13(16)14-6-5-9-17(12-14)10-11-18-15-7-3-2-4-8-15;/h2-4,7-8,13-14H,5-6,9-12,16H2,1H3;1H.
What are the key properties of 1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride?
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 300.90 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119925370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).