[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone

C11H16N2OS — CID 28706738

IUPAC[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESNCC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c12-8-9-3-5-13(6-4-9)11(14)10-2-1-7-15-10/h1-2,7,9H,3-6,8,12H2
InChIKeyWSYQSAXOIRRZFV-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.56
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 28706738) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID28706738
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESNCC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c12-8-9-3-5-13(6-4-9)11(14)10-2-1-7-15-10/h1-2,7,9H,3-6,8,12H2
InChIKeyWSYQSAXOIRRZFV-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
CID 10588916
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801038
[3-(2-bromoethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801408
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724
4-[[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95873674
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 28706738) is [4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone is NCC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WSYQSAXOIRRZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-8-9-3-5-13(6-4-9)11(14)10-2-1-7-15-10/h1-2,7,9H,3-6,8,12H2.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 224.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 28706738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).