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

C19H19NS — CID 11208609

IUPAC1-(2-phenyl-1-benzothiophen-3-yl)piperidine
SMILESc1ccc(-c2sc3ccccc3c2N2CCCCC2)cc1
InChIInChI=1S/C19H19NS/c1-3-9-15(10-4-1)19-18(20-13-7-2-8-14-20)16-11-5-6-12-17(16)21-19/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyZPWAHGDNNFWDKR-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.56
Rot. Bonds2

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

1-(2-phenyl-1-benzothiophen-3-yl)piperidine (PubChem CID 11208609) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(2-phenyl-1-benzothiophen-3-yl)piperidine.

Molecular Properties

Compound Name1-(2-phenyl-1-benzothiophen-3-yl)piperidine
PubChem CID11208609
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name1-(2-phenyl-1-benzothiophen-3-yl)piperidine
SMILESc1ccc(-c2sc3ccccc3c2N2CCCCC2)cc1
InChIInChI=1S/C19H19NS/c1-3-9-15(10-4-1)19-18(20-13-7-2-8-14-20)16-11-5-6-12-17(16)21-19/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyZPWAHGDNNFWDKR-UHFFFAOYSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Btcp
CID 123692
1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-piperidine
CID 398373
Thionaphthene, 2-[1-(1-piperidyl)cyclopentyl]-
CID 398418
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-diethyl-amine
CID 618551
4-(1-benzothiophen-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11588595
N-(1-benzothiophen-5-yl)-N-benzylpiperidin-4-amine
CID 44467960
BTCP hydrochloride
CID 11957484
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-methyl-amine
CID 9972104
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dipropyl-amine
CID 10018606
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-ethyl-propyl-amine
CID 10447616
1-(1-Benzothiophen-3-yl)piperidine
CID 281089
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11660289

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1-benzothiophen-3-yl)piperidine?
The IUPAC name of 1-(2-phenyl-1-benzothiophen-3-yl)piperidine (CID 11208609) is 1-(2-phenyl-1-benzothiophen-3-yl)piperidine.
What is the SMILES notation for 1-(2-phenyl-1-benzothiophen-3-yl)piperidine?
The canonical SMILES for 1-(2-phenyl-1-benzothiophen-3-yl)piperidine is c1ccc(-c2sc3ccccc3c2N2CCCCC2)cc1.
What is the InChIKey of 1-(2-phenyl-1-benzothiophen-3-yl)piperidine?
The InChIKey is ZPWAHGDNNFWDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-3-9-15(10-4-1)19-18(20-13-7-2-8-14-20)16-11-5-6-12-17(16)21-19/h1,3-6,9-12H,2,7-8,13-14H2.
What are the key properties of 1-(2-phenyl-1-benzothiophen-3-yl)piperidine?
1-(2-phenyl-1-benzothiophen-3-yl)piperidine has a molecular weight of 293.44 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1-benzothiophen-3-yl)piperidine is sourced from PubChem (CID 11208609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).