1-(2-phenylsulfanylethyl)piperidine;hydrochloride

C13H20ClNS — CID 21317512

IUPAC1-(2-phenylsulfanylethyl)piperidine;hydrochloride
SMILESCl.c1ccc(SCCN2CCCCC2)cc1
InChIInChI=1S/C13H19NS.ClH/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;/h1,3-4,7-8H,2,5-6,9-12H2;1H
InChIKeyRPRQUEHNZQWQHD-UHFFFAOYSA-N
MW257.83 g/mol
LogP3.69
Rot. Bonds4

About 1-(2-phenylsulfanylethyl)piperidine;hydrochloride

1-(2-phenylsulfanylethyl)piperidine;hydrochloride (PubChem CID 21317512) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylsulfanylethyl)piperidine;hydrochloride
PubChem CID21317512
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-(2-phenylsulfanylethyl)piperidine;hydrochloride
SMILESCl.c1ccc(SCCN2CCCCC2)cc1
InChIInChI=1S/C13H19NS.ClH/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;/h1,3-4,7-8H,2,5-6,9-12H2;1H
InChIKeyRPRQUEHNZQWQHD-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
1-(2-chloroethyl)-4-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223203
1-(6-phenylsulfanylhexyl)pyrrolidine
CID 11857934
4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
CID 18723211
N-(2-phenylsulfanylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961115
1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 112731207
1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine
CID 112731206
[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119915525
1-(2-phenylsulfanylethyl)pyrrolidine-3,4-diol
CID 106672594
3-methyl-1-(2-phenylsulfanylethyl)piperidine-3-carboxylic acid
CID 79228539
2-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline
CID 901226
3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethyl)piperidine;hydrochloride?
The IUPAC name of 1-(2-phenylsulfanylethyl)piperidine;hydrochloride (CID 21317512) is 1-(2-phenylsulfanylethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(2-phenylsulfanylethyl)piperidine;hydrochloride?
The canonical SMILES for 1-(2-phenylsulfanylethyl)piperidine;hydrochloride is Cl.c1ccc(SCCN2CCCCC2)cc1.
What is the InChIKey of 1-(2-phenylsulfanylethyl)piperidine;hydrochloride?
The InChIKey is RPRQUEHNZQWQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS.ClH/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;/h1,3-4,7-8H,2,5-6,9-12H2;1H.
What are the key properties of 1-(2-phenylsulfanylethyl)piperidine;hydrochloride?
1-(2-phenylsulfanylethyl)piperidine;hydrochloride has a molecular weight of 257.83 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethyl)piperidine;hydrochloride is sourced from PubChem (CID 21317512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).