1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile

C11H13ClN2S — CID 48940786

IUPAC1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H13ClN2S/c12-11-2-1-10(15-11)8-14-5-3-9(7-13)4-6-14/h1-2,9H,3-6,8H2
InChIKeyFTRLEPSKYMHKLI-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.14
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile

1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile (PubChem CID 48940786) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile
PubChem CID48940786
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H13ClN2S/c12-11-2-1-10(15-11)8-14-5-3-9(7-13)4-6-14/h1-2,9H,3-6,8H2
InChIKeyFTRLEPSKYMHKLI-UHFFFAOYSA-N
XLogP3.14
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 51080740
1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923162
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
1-(2-chloroethyl)-4-[(5-chlorothiophen-2-yl)methyl]-1,4-diazepane
CID 63388084
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine
CID 63861880
1-[(5-chlorothiophen-2-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]piperazine
CID 125118001
1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine
CID 66202987
2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine
CID 81213537
3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 80679761
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-oxopiperidine-3-carbonitrile
CID 116837824
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243
1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728690

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile (CID 48940786) is 1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile is N#CC1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile?
The InChIKey is FTRLEPSKYMHKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c12-11-2-1-10(15-11)8-14-5-3-9(7-13)4-6-14/h1-2,9H,3-6,8H2.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile?
1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile has a molecular weight of 240.76 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 48940786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).