N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine

C17H24N2S — CID 115718237

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1C)c1cc2ccccc2s1
InChIInChI=1S/C17H24N2S/c1-12-11-19(3)9-8-15(12)18-13(2)17-10-14-6-4-5-7-16(14)20-17/h4-7,10,12-13,15,18H,8-9,11H2,1-3H3
InChIKeyFEMPFZVMJCQEOG-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.89
Rot. Bonds3

About N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine

N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115718237) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115718237
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1C)c1cc2ccccc2s1
InChIInChI=1S/C17H24N2S/c1-12-11-19(3)9-8-15(12)18-13(2)17-10-14-6-4-5-7-16(14)20-17/h4-7,10,12-13,15,18H,8-9,11H2,1-3H3
InChIKeyFEMPFZVMJCQEOG-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 115706103
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 104982899
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
N-[1-(1-benzothiophen-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 114909997
N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine
CID 115718255
5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115711165
1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine
CID 115717630

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine (CID 115718237) is N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine is CC(NC1CCN(C)CC1C)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is FEMPFZVMJCQEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12-11-19(3)9-8-15(12)18-13(2)17-10-14-6-4-5-7-16(14)20-17/h4-7,10,12-13,15,18H,8-9,11H2,1-3H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine?
N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 288.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115718237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).