3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine

C14H24N2S — CID 81044233

IUPAC3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine
SMILESCC(CCNCc1cccs1)C1CCCNC1
InChIInChI=1S/C14H24N2S/c1-12(13-4-2-7-15-10-13)6-8-16-11-14-5-3-9-17-14/h3,5,9,12-13,15-16H,2,4,6-8,10-11H2,1H3
InChIKeyFQDWRFHOSHGGKN-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.86
Rot. Bonds6

About 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine

3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine (PubChem CID 81044233) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine
PubChem CID81044233
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine
SMILESCC(CCNCc1cccs1)C1CCCNC1
InChIInChI=1S/C14H24N2S/c1-12(13-4-2-7-15-10-13)6-8-16-11-14-5-3-9-17-14/h3,5,9,12-13,15-16H,2,4,6-8,10-11H2,1H3
InChIKeyFQDWRFHOSHGGKN-UHFFFAOYSA-N
XLogP2.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine
CID 102913685
N-(cyclopropylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81044779
2-methyl-2-piperidin-3-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83199653
N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81043624
N-(1-piperidin-3-ylethyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119474131
2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 116679496
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine?
The IUPAC name of 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine (CID 81044233) is 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine?
The canonical SMILES for 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine is CC(CCNCc1cccs1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine?
The InChIKey is FQDWRFHOSHGGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12(13-4-2-7-15-10-13)6-8-16-11-14-5-3-9-17-14/h3,5,9,12-13,15-16H,2,4,6-8,10-11H2,1H3.
What are the key properties of 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine?
3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 81044233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).