3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine

C11H16ClNS — CID 102959815

IUPAC3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
SMILESCC1CCN(Cc2cccs2)CC1Cl
InChIInChI=1S/C11H16ClNS/c1-9-4-5-13(8-11(9)12)7-10-3-2-6-14-10/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyYBAQAUJAFGBCSD-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.20
Rot. Bonds2

About 3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine

3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine (PubChem CID 102959815) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
PubChem CID102959815
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
SMILESCC1CCN(Cc2cccs2)CC1Cl
InChIInChI=1S/C11H16ClNS/c1-9-4-5-13(8-11(9)12)7-10-3-2-6-14-10/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyYBAQAUJAFGBCSD-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine
CID 102959994
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081480
1-(3-chloro-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 102961373
3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
CID 63388568
1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole
CID 124959858
3-[(3-chloro-4-methylpiperidin-1-yl)methyl]phenol
CID 102960125
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine?
The IUPAC name of 3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine (CID 102959815) is 3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine?
The canonical SMILES for 3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine is CC1CCN(Cc2cccs2)CC1Cl.
What is the InChIKey of 3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine?
The InChIKey is YBAQAUJAFGBCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-9-4-5-13(8-11(9)12)7-10-3-2-6-14-10/h2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of 3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine?
3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine has a molecular weight of 229.78 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 102959815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).