1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine

C19H18ClNS — CID 16640441

IUPAC1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine
SMILESClc1ccc2sc(-c3ccccc3)c(N3CCCCC3)c2c1
InChIInChI=1S/C19H18ClNS/c20-15-9-10-17-16(13-15)18(21-11-5-2-6-12-21)19(22-17)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyKNZMBJZXJPJTEE-UHFFFAOYSA-N
MW327.88 g/mol
LogP6.21
Rot. Bonds2

About 1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine

1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine (PubChem CID 16640441) has the molecular formula C19H18ClNS and a molecular weight of 327.88 g/mol. Its IUPAC name is 1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine.

Molecular Properties

Compound Name1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine
PubChem CID16640441
Molecular FormulaC19H18ClNS
Molecular Weight327.88 g/mol
Exact Mass327.08
IUPAC Name1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine
SMILESClc1ccc2sc(-c3ccccc3)c(N3CCCCC3)c2c1
InChIInChI=1S/C19H18ClNS/c20-15-9-10-17-16(13-15)18(21-11-5-2-6-12-21)19(22-17)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyKNZMBJZXJPJTEE-UHFFFAOYSA-N
XLogP6.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.88
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Phenyl-1-benzothiophen-3-yl)piperidine
CID 11208609
1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
CID 12412182
1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline
CID 71115938
(1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-8-chloro-2,3-dimethyl-4-phenyl-, hydrochloride
CID 3053923
1-[(5-Chloro-1-benzothiophen-3-yl)methyl]piperidine
CID 821719
1-[(5-Chloro-1-benzothien-3-yl)methyl]-4-(2-fluorophenyl)piperazine
CID 10451194
4-chloro-7-fluoro-1-methyl-2-phenyl-2H-[1]benzothiolo[3,2-b]pyridine
CID 123278545
N-[(5-chloro-1-benzothiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 141128897
N-Phenyl-benzothienopyridine
CID 129646556
2-Chloro-3-piperazinobenzo[b]thiophene
CID 129784299
2-chloro-3-(N'-methylpiperazino)benzo[b]thiophene
CID 129788751
6-Chloro-1,2,3,4-tetrahydro-1,3-dimethyl-2-phenyl[1]benzothieno[2,3-c]pyridine hydrochloride
CID 129837617

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine?
The IUPAC name of 1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine (CID 16640441) is 1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine.
What is the SMILES notation for 1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine?
The canonical SMILES for 1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine is Clc1ccc2sc(-c3ccccc3)c(N3CCCCC3)c2c1.
What is the InChIKey of 1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine?
The InChIKey is KNZMBJZXJPJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNS/c20-15-9-10-17-16(13-15)18(21-11-5-2-6-12-21)19(22-17)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2.
What are the key properties of 1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine?
1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine has a molecular weight of 327.88 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenyl-1-benzothiophen-3-yl)piperidine is sourced from PubChem (CID 16640441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).