1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine

C13H22N2S — CID 79548872

IUPAC1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(CC1CCCCN1)NCc1cccs1
InChIInChI=1S/C13H22N2S/c1-11(9-12-5-2-3-7-14-12)15-10-13-6-4-8-16-13/h4,6,8,11-12,14-15H,2-3,5,7,9-10H2,1H3
InChIKeyQZCFAHUMFQDHNV-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.76
Rot. Bonds5

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

1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine (PubChem CID 79548872) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
PubChem CID79548872
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(CC1CCCCN1)NCc1cccs1
InChIInChI=1S/C13H22N2S/c1-11(9-12-5-2-3-7-14-12)15-10-13-6-4-8-16-13/h4,6,8,11-12,14-15H,2-3,5,7,9-10H2,1H3
InChIKeyQZCFAHUMFQDHNV-UHFFFAOYSA-N
XLogP2.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79535684
(2S)-2-(thiophen-2-ylmethyl)azepane
CID 94481267
3-piperidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 62212619
4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine
CID 115644666
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
1-(azepan-2-yl)-N-(1,3-benzodioxol-4-ylmethyl)propan-2-amine
CID 79540466
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
1-(azepan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 79560554
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540165
2-(2-thiophen-2-ylpropyl)pyrrolidine
CID 112715427
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine (CID 79548872) is 1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine is CC(CC1CCCCN1)NCc1cccs1.
What is the InChIKey of 1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine?
The InChIKey is QZCFAHUMFQDHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(9-12-5-2-3-7-14-12)15-10-13-6-4-8-16-13/h4,6,8,11-12,14-15H,2-3,5,7,9-10H2,1H3.
What are the key properties of 1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine?
1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 79548872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).