1-(3-phenylsulfanylpropyl)piperidine;hydrochloride

C14H22ClNS — CID 3038686

IUPAC1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
SMILESCl.c1ccc(SCCCN2CCCCC2)cc1
InChIInChI=1S/C14H21NS.ClH/c1-3-8-14(9-4-1)16-13-7-12-15-10-5-2-6-11-15;/h1,3-4,8-9H,2,5-7,10-13H2;1H
InChIKeyNJOKBCHXXCJDCX-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.08
Rot. Bonds5

About 1-(3-phenylsulfanylpropyl)piperidine;hydrochloride

1-(3-phenylsulfanylpropyl)piperidine;hydrochloride (PubChem CID 3038686) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 1-(3-phenylsulfanylpropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
PubChem CID3038686
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
SMILESCl.c1ccc(SCCCN2CCCCC2)cc1
InChIInChI=1S/C14H21NS.ClH/c1-3-8-14(9-4-1)16-13-7-12-15-10-5-2-6-11-15;/h1,3-4,8-9H,2,5-7,10-13H2;1H
InChIKeyNJOKBCHXXCJDCX-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-phenylsulfanylhexyl)pyrrolidine
CID 11857934
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
N-(2-phenylsulfanylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961115
3-(3-phenylsulfanylpropyl)-3-azabicyclo[3.2.2]nonane;hydrochloride
CID 117068074
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
1-(2-chloroethyl)-4-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223203
1-ethyl-4-(4-phenylsulfanylbutyl)piperazine;oxalic acid
CID 2961167
(E)-1-phenyl-3-[4-(5-piperidin-1-ylpentylsulfanyl)phenyl]prop-2-en-1-one
CID 24874368
N-(3-phenylsulfanylpropyl)-N-(2-pyrrolidin-1-ylethyl)naphthalen-2-amine
CID 118584916
7-(4-phenylsulfanylbutyl)-2,7-diazaspiro[3.5]nonane
CID 170584124
2-phenylsulfanyl-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39082370
(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine
CID 71503885

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylsulfanylpropyl)piperidine;hydrochloride?
The IUPAC name of 1-(3-phenylsulfanylpropyl)piperidine;hydrochloride (CID 3038686) is 1-(3-phenylsulfanylpropyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(3-phenylsulfanylpropyl)piperidine;hydrochloride?
The canonical SMILES for 1-(3-phenylsulfanylpropyl)piperidine;hydrochloride is Cl.c1ccc(SCCCN2CCCCC2)cc1.
What is the InChIKey of 1-(3-phenylsulfanylpropyl)piperidine;hydrochloride?
The InChIKey is NJOKBCHXXCJDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS.ClH/c1-3-8-14(9-4-1)16-13-7-12-15-10-5-2-6-11-15;/h1,3-4,8-9H,2,5-7,10-13H2;1H.
What are the key properties of 1-(3-phenylsulfanylpropyl)piperidine;hydrochloride?
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride has a molecular weight of 271.86 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylsulfanylpropyl)piperidine;hydrochloride is sourced from PubChem (CID 3038686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).