1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride

C15H25ClN2S — CID 120839732

IUPAC1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(CCSCc2ccccc2)CC1.Cl
InChIInChI=1S/C15H24N2S.ClH/c1-16-15-7-9-17(10-8-15)11-12-18-13-14-5-3-2-4-6-14;/h2-6,15-16H,7-13H2,1H3;1H
InChIKeyPVNTZVMYCAWGJP-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.03
Rot. Bonds6

About 1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride

1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 120839732) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride
PubChem CID120839732
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(CCSCc2ccccc2)CC1.Cl
InChIInChI=1S/C15H24N2S.ClH/c1-16-15-7-9-17(10-8-15)11-12-18-13-14-5-3-2-4-6-14;/h2-6,15-16H,7-13H2,1H3;1H
InChIKeyPVNTZVMYCAWGJP-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 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 ≤ 53.03
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-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine
CID 120837970
1-(2-benzylsulfanylethyl)pyrrolidin-3-amine
CID 120837473
(3S,4R)-1-(2-benzylsulfanylethyl)-3-methylpiperidin-4-ol
CID 129429343
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride
CID 120845971
1-[1-(2-benzylsulfanylethyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842714
2-[[1-(2-benzylsulfanylethyl)azepan-4-yl]-methylamino]acetic acid
CID 122043489
N-methyl-1-(2-methylsulfanylethyl)piperidin-4-amine
CID 63966753
3-(2-benzylsulfanylethyl)-3,9-diazabicyclo[3.3.1]nonane
CID 120845706
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine
CID 66569637

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride (CID 120839732) is 1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride is CNC1CCN(CCSCc2ccccc2)CC1.Cl.
What is the InChIKey of 1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is PVNTZVMYCAWGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S.ClH/c1-16-15-7-9-17(10-8-15)11-12-18-13-14-5-3-2-4-6-14;/h2-6,15-16H,7-13H2,1H3;1H.
What are the key properties of 1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride?
1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 300.90 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120839732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).