2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride

C12H18Cl2N2S — CID 71639974

IUPAC2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride
SMILESCl.Clc1ccc(CSCC2CCCCN2)cn1
InChIInChI=1S/C12H17ClN2S.ClH/c13-12-5-4-10(7-15-12)8-16-9-11-3-1-2-6-14-11;/h4-5,7,11,14H,1-3,6,8-9H2;1H
InChIKeyCOAFWBXPPCXWHS-UHFFFAOYSA-N
MW293.26 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride

2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride (PubChem CID 71639974) has the molecular formula C12H18Cl2N2S and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride
PubChem CID71639974
Molecular FormulaC12H18Cl2N2S
Molecular Weight293.26 g/mol
Exact Mass292.06
IUPAC Name2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride
SMILESCl.Clc1ccc(CSCC2CCCCN2)cn1
InChIInChI=1S/C12H17ClN2S.ClH/c13-12-5-4-10(7-15-12)8-16-9-11-3-1-2-6-14-11;/h4-5,7,11,14H,1-3,6,8-9H2;1H
InChIKeyCOAFWBXPPCXWHS-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;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

2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride
CID 71639976
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
CID 97163574
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
2-[(4-bromophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071015
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
(2S)-2-[(2-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 103289465
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
2-[(2-bromophenyl)methylsulfanylmethyl]piperidine
CID 115071035
2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
CID 115071010
(2S)-2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 102820351
2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62766072

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride?
The IUPAC name of 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride (CID 71639974) is 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride?
The canonical SMILES for 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride is Cl.Clc1ccc(CSCC2CCCCN2)cn1.
What is the InChIKey of 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride?
The InChIKey is COAFWBXPPCXWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S.ClH/c13-12-5-4-10(7-15-12)8-16-9-11-3-1-2-6-14-11;/h4-5,7,11,14H,1-3,6,8-9H2;1H.
What are the key properties of 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride?
2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride has a molecular weight of 293.26 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride is sourced from PubChem (CID 71639974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).