(3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride

C14H23ClN2S — CID 120845971

IUPAC(3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(CCSCc2ccccc2)C1
InChIInChI=1S/C14H22N2S.ClH/c15-14-7-4-8-16(11-14)9-10-17-12-13-5-2-1-3-6-13;/h1-3,5-6,14H,4,7-12,15H2;1H/t14-;/m1./s1
InChIKeyHVGQZOZPVDUQGR-PFEQFJNWSA-N
MW286.87 g/mol
LogP2.76
Rot. Bonds5

About (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride

(3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride (PubChem CID 120845971) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride
PubChem CID120845971
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name(3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(CCSCc2ccccc2)C1
InChIInChI=1S/C14H22N2S.ClH/c15-14-7-4-8-16(11-14)9-10-17-12-13-5-2-1-3-6-13;/h1-3,5-6,14H,4,7-12,15H2;1H/t14-;/m1./s1
InChIKeyHVGQZOZPVDUQGR-PFEQFJNWSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-benzylsulfanylethyl)pyrrolidin-3-amine
CID 120837473
1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine
CID 120837970
(3S,4R)-1-(2-benzylsulfanylethyl)-3-methylpiperidin-4-ol
CID 129429343
3-(2-benzylsulfanylethyl)-3,9-diazabicyclo[3.3.1]nonane
CID 120845706
1-(2-benzylsulfanylethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 120839732
(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979
[4-(2-benzylsulfanylethyl)morpholin-2-yl]methanamine
CID 120844457
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
1-[1-(2-benzylsulfanylethyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842714
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine
CID 129366524

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride (CID 120845971) is (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride is Cl.N[C@@H]1CCCN(CCSCc2ccccc2)C1.
What is the InChIKey of (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride?
The InChIKey is HVGQZOZPVDUQGR-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H22N2S.ClH/c15-14-7-4-8-16(11-14)9-10-17-12-13-5-2-1-3-6-13;/h1-3,5-6,14H,4,7-12,15H2;1H/t14-;/m1./s1.
What are the key properties of (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride?
(3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride has a molecular weight of 286.87 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120845971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).