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

C15H25ClN2S — CID 120836929

IUPAC[1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1CCSCc1ccccc1
InChIInChI=1S/C15H24N2S.ClH/c16-12-15-8-4-5-9-17(15)10-11-18-13-14-6-2-1-3-7-14;/h1-3,6-7,15H,4-5,8-13,16H2;1H
InChIKeyZODRUNOXSLJYNF-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.15
Rot. Bonds6

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

[1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride (PubChem CID 120836929) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is [1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride
PubChem CID120836929
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name[1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1CCSCc1ccccc1
InChIInChI=1S/C15H24N2S.ClH/c16-12-15-8-4-5-9-17(15)10-11-18-13-14-6-2-1-3-7-14;/h1-3,6-7,15H,4-5,8-13,16H2;1H
InChIKeyZODRUNOXSLJYNF-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-benzylsulfanylethyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842714
1-(2-benzylsulfanylethyl)piperidine-2-carboxylic acid
CID 122040507
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
(3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride
CID 120845971
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
CID 112702102
[1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine
CID 84680522
[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methanamine
CID 63262844
2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554160
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
1-(2-benzylsulfanylethyl)pyrrolidin-3-amine
CID 120837473
(2S)-2-benzyl-1-propylpiperidine
CID 97355928

Frequently Asked Questions

What is the IUPAC name of [1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride (CID 120836929) is [1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1CCSCc1ccccc1.
What is the InChIKey of [1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is ZODRUNOXSLJYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S.ClH/c16-12-15-8-4-5-9-17(15)10-11-18-13-14-6-2-1-3-7-14;/h1-3,6-7,15H,4-5,8-13,16H2;1H.
What are the key properties of [1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride?
[1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 300.90 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120836929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).