N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine

C18H30N2S — CID 83997648

IUPACN-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
SMILESCCN1CC(Cc2ccsc2)CC(NCC2CCCC2)C1
InChIInChI=1S/C18H30N2S/c1-2-20-12-17(9-16-7-8-21-14-16)10-18(13-20)19-11-15-5-3-4-6-15/h7-8,14-15,17-19H,2-6,9-13H2,1H3
InChIKeyDBMFPZYRDARTQO-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.78
Rot. Bonds6

About N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine

N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine (PubChem CID 83997648) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
PubChem CID83997648
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
SMILESCCN1CC(Cc2ccsc2)CC(NCC2CCCC2)C1
InChIInChI=1S/C18H30N2S/c1-2-20-12-17(9-16-7-8-21-14-16)10-18(13-20)19-11-15-5-3-4-6-15/h7-8,14-15,17-19H,2-6,9-13H2,1H3
InChIKeyDBMFPZYRDARTQO-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
CID 83989578
5-benzyl-N-(cyclobutylmethyl)-1-ethylpiperidin-3-amine
CID 83996943
N-(cyclohexylmethyl)-1-ethyl-5-propylpiperidin-3-amine
CID 83998322
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83998325
N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83998347
N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
CID 83992767
N,5-bis(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83996251
N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 83998287
5-benzyl-1-ethyl-N-methylpiperidin-3-amine
CID 83989565
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
CID 83996965
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
The IUPAC name of N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine (CID 83997648) is N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
The canonical SMILES for N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine is CCN1CC(Cc2ccsc2)CC(NCC2CCCC2)C1.
What is the InChIKey of N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
The InChIKey is DBMFPZYRDARTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-2-20-12-17(9-16-7-8-21-14-16)10-18(13-20)19-11-15-5-3-4-6-15/h7-8,14-15,17-19H,2-6,9-13H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine has a molecular weight of 306.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 83997648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).