1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile

C12H16N2S — CID 62416012

IUPAC1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCc2cccs2)CC1
InChIInChI=1S/C12H16N2S/c13-10-11-3-6-14(7-4-11)8-5-12-2-1-9-15-12/h1-2,9,11H,3-8H2
InChIKeyHQCBNIXKGNOFBE-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile

1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile (PubChem CID 62416012) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile
PubChem CID62416012
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCc2cccs2)CC1
InChIInChI=1S/C12H16N2S/c13-10-11-3-6-14(7-4-11)8-5-12-2-1-9-15-12/h1-2,9,11H,3-8H2
InChIKeyHQCBNIXKGNOFBE-UHFFFAOYSA-N
XLogP2.53
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
4-bromo-3-methyl-1-(2-thiophen-2-ylethyl)piperidine
CID 114682366
1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109728
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 81459742
N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine
CID 63775315
1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine
CID 136513547
N-propan-2-yl-1-(2-thiophen-2-ylethyl)piperidin-3-amine
CID 63776852
1-[2-(4-nitrophenyl)ethyl]piperidine-4-carbonitrile
CID 48939342
1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732159
N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47535207
3-cyclohexyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64833084

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile (CID 62416012) is 1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile is N#CC1CCN(CCc2cccs2)CC1.
What is the InChIKey of 1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile?
The InChIKey is HQCBNIXKGNOFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c13-10-11-3-6-14(7-4-11)8-5-12-2-1-9-15-12/h1-2,9,11H,3-8H2.
What are the key properties of 1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile?
1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile has a molecular weight of 220.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 62416012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).