N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine

C16H28N2S — CID 54979176

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCCc1ccc(C(C)NC2CCN(C(C)C)CC2)s1
InChIInChI=1S/C16H28N2S/c1-5-15-6-7-16(19-15)13(4)17-14-8-10-18(11-9-14)12(2)3/h6-7,12-14,17H,5,8-11H2,1-4H3
InChIKeyKHWWLYYQSXTRRC-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.83
Rot. Bonds5

About N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 54979176) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID54979176
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCCc1ccc(C(C)NC2CCN(C(C)C)CC2)s1
InChIInChI=1S/C16H28N2S/c1-5-15-6-7-16(19-15)13(4)17-14-8-10-18(11-9-14)12(2)3/h6-7,12-14,17H,5,8-11H2,1-4H3
InChIKeyKHWWLYYQSXTRRC-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 61335545
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 104694894
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113262274
N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43182952
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82725149
1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 62069492
N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550991
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 61335355
2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75428655

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine (CID 54979176) is N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine is CCc1ccc(C(C)NC2CCN(C(C)C)CC2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is KHWWLYYQSXTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-15-6-7-16(19-15)13(4)17-14-8-10-18(11-9-14)12(2)3/h6-7,12-14,17H,5,8-11H2,1-4H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 280.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 54979176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).