1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine

C20H27ClN2S — CID 10618690

IUPAC1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine
SMILESClCCN1CCN(C2(c3cc4ccccc4s3)CCCCC2)CC1
InChIInChI=1S/C20H27ClN2S/c21-10-11-22-12-14-23(15-13-22)20(8-4-1-5-9-20)19-16-17-6-2-3-7-18(17)24-19/h2-3,6-7,16H,1,4-5,8-15H2
InChIKeyULWGIFKRZGSPGS-UHFFFAOYSA-N
MW362.97 g/mol
LogP4.92
Rot. Bonds4

About 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine

1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine (PubChem CID 10618690) has the molecular formula C20H27ClN2S and a molecular weight of 362.97 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine
PubChem CID10618690
Molecular FormulaC20H27ClN2S
Molecular Weight362.97 g/mol
Exact Mass362.16
IUPAC Name1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine
SMILESClCCN1CCN(C2(c3cc4ccccc4s3)CCCCC2)CC1
InChIInChI=1S/C20H27ClN2S/c21-10-11-22-12-14-23(15-13-22)20(8-4-1-5-9-20)19-16-17-6-2-3-7-18(17)24-19/h2-3,6-7,16H,1,4-5,8-15H2
InChIKeyULWGIFKRZGSPGS-UHFFFAOYSA-N
XLogP4.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.97
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Btcp
CID 123692
1-(1-Benzo[b]thiophen-2-yl-cyclohexyl)-azepane
CID 398369
1-(1-(2-Benzo(b)thienyl)cyclohexyl)pyrrolidine
CID 192370
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dimethyl-amine
CID 398363
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)-dibutyl-amine
CID 439053
Ethan-1,2-diamine, N-[1-(2-thionaphthenyl)cyclohexyl]-N'-methyl-
CID 611997
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-diethyl-amine
CID 618551
1-(1-Benzothien-3-ylmethyl)piperidine
CID 832487
BTCP hydrochloride
CID 11957484
N'-[1-(1-benzothiophen-2-yl)cyclohexyl]propane-1,3-diamine
CID 398353

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine?
The IUPAC name of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine (CID 10618690) is 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine.
What is the SMILES notation for 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine?
The canonical SMILES for 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine is ClCCN1CCN(C2(c3cc4ccccc4s3)CCCCC2)CC1.
What is the InChIKey of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine?
The InChIKey is ULWGIFKRZGSPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2S/c21-10-11-22-12-14-23(15-13-22)20(8-4-1-5-9-20)19-16-17-6-2-3-7-18(17)24-19/h2-3,6-7,16H,1,4-5,8-15H2.
What are the key properties of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine?
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine has a molecular weight of 362.97 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine is sourced from PubChem (CID 10618690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).