3-[(3-chlorothiophen-2-yl)methyl]piperidine

C10H14ClNS — CID 130534670

IUPAC3-[(3-chlorothiophen-2-yl)methyl]piperidine
SMILESClc1ccsc1CC1CCCNC1
InChIInChI=1S/C10H14ClNS/c11-9-3-5-13-10(9)6-8-2-1-4-12-7-8/h3,5,8,12H,1-2,4,6-7H2
InChIKeyDZXMBDWWNQTVEZ-UHFFFAOYSA-N
MW215.75 g/mol
LogP2.94
Rot. Bonds2

About 3-[(3-chlorothiophen-2-yl)methyl]piperidine

3-[(3-chlorothiophen-2-yl)methyl]piperidine (PubChem CID 130534670) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 3-[(3-chlorothiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3-chlorothiophen-2-yl)methyl]piperidine
PubChem CID130534670
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name3-[(3-chlorothiophen-2-yl)methyl]piperidine
SMILESClc1ccsc1CC1CCCNC1
InChIInChI=1S/C10H14ClNS/c11-9-3-5-13-10(9)6-8-2-1-4-12-7-8/h3,5,8,12H,1-2,4,6-7H2
InChIKeyDZXMBDWWNQTVEZ-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 112749641
3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106629031
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796
N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120839502
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 115089037
1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116936426
5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
3-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 62734713

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorothiophen-2-yl)methyl]piperidine?
The IUPAC name of 3-[(3-chlorothiophen-2-yl)methyl]piperidine (CID 130534670) is 3-[(3-chlorothiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[(3-chlorothiophen-2-yl)methyl]piperidine?
The canonical SMILES for 3-[(3-chlorothiophen-2-yl)methyl]piperidine is Clc1ccsc1CC1CCCNC1.
What is the InChIKey of 3-[(3-chlorothiophen-2-yl)methyl]piperidine?
The InChIKey is DZXMBDWWNQTVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-9-3-5-13-10(9)6-8-2-1-4-12-7-8/h3,5,8,12H,1-2,4,6-7H2.
What are the key properties of 3-[(3-chlorothiophen-2-yl)methyl]piperidine?
3-[(3-chlorothiophen-2-yl)methyl]piperidine has a molecular weight of 215.75 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorothiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 130534670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).