N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine

C15H20N2S — CID 115211557

IUPACN-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine
SMILESc1ccc2c(NCCC3CCNCC3)csc2c1
InChIInChI=1S/C15H20N2S/c1-2-4-15-13(3-1)14(11-18-15)17-10-7-12-5-8-16-9-6-12/h1-4,11-12,16-17H,5-10H2
InChIKeyYTGOTDBLQUFEPV-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.70
Rot. Bonds4

About N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine

N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine (PubChem CID 115211557) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine
PubChem CID115211557
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine
SMILESc1ccc2c(NCCC3CCNCC3)csc2c1
InChIInChI=1S/C15H20N2S/c1-2-4-15-13(3-1)14(11-18-15)17-10-7-12-5-8-16-9-6-12/h1-4,11-12,16-17H,5-10H2
InChIKeyYTGOTDBLQUFEPV-UHFFFAOYSA-N
XLogP3.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-4-ylethyl)aniline
CID 4778278
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine
CID 115211649
N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119296481
4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115052335
2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
CID 115054215
4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
CID 115054203
N-(1-benzothiophen-3-yl)oxolan-3-amine
CID 115969854
N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine
CID 131233393
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
3-(1-benzothiophen-3-ylamino)propane-1,2-diol
CID 115121939
3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 79830281

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine?
The IUPAC name of N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine (CID 115211557) is N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine.
What is the SMILES notation for N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine?
The canonical SMILES for N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine is c1ccc2c(NCCC3CCNCC3)csc2c1.
What is the InChIKey of N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine?
The InChIKey is YTGOTDBLQUFEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-4-15-13(3-1)14(11-18-15)17-10-7-12-5-8-16-9-6-12/h1-4,11-12,16-17H,5-10H2.
What are the key properties of N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine?
N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine has a molecular weight of 260.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine is sourced from PubChem (CID 115211557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).