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

C16H28N2S — CID 83062252

IUPAC2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCCC1CCCCN1C(C)CNCc1cccs1
InChIInChI=1S/C16H28N2S/c1-3-7-15-8-4-5-10-18(15)14(2)12-17-13-16-9-6-11-19-16/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3
InChIKeyLQZYFKFSIJTQKH-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.88
Rot. Bonds7

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

2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 83062252) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID83062252
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCCC1CCCCN1C(C)CNCc1cccs1
InChIInChI=1S/C16H28N2S/c1-3-7-15-8-4-5-10-18(15)14(2)12-17-13-16-9-6-11-19-16/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3
InChIKeyLQZYFKFSIJTQKH-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63167661
2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55089239
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79312950
2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62558327
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 3157138
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63776987
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087404

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 83062252) is 2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is CCCC1CCCCN1C(C)CNCc1cccs1.
What is the InChIKey of 2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is LQZYFKFSIJTQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-7-15-8-4-5-10-18(15)14(2)12-17-13-16-9-6-11-19-16/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3.
What are the key properties of 2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 83062252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).