4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride

C19H31Cl3N4S — CID 67125798

IUPAC4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride
SMILESCl.Cl.Cl.NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C19H28N4S.3ClH/c20-16-3-1-15(2-4-16)6-9-22-10-12-23(13-11-22)19-17-7-14-24-18(17)5-8-21-19;;;/h5,7-8,14-16H,1-4,6,9-13,20H2;3*1H
InChIKeyGSVCGVVWZMJASC-UHFFFAOYSA-N
MW453.91 g/mol
LogP4.59
Rot. Bonds4

About 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride

4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride (PubChem CID 67125798) has the molecular formula C19H31Cl3N4S and a molecular weight of 453.91 g/mol. Its IUPAC name is 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride.

Molecular Properties

Compound Name4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride
PubChem CID67125798
Molecular FormulaC19H31Cl3N4S
Molecular Weight453.91 g/mol
Exact Mass452.13
IUPAC Name4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride
SMILESCl.Cl.Cl.NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C19H28N4S.3ClH/c20-16-3-1-15(2-4-16)6-9-22-10-12-23(13-11-22)19-17-7-14-24-18(17)5-8-21-19;;;/h5,7-8,14-16H,1-4,6,9-13,20H2;3*1H
InChIKeyGSVCGVVWZMJASC-UHFFFAOYSA-N
XLogP4.59
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.91
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride with MolForge

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Related Compounds

[2-methyl-1-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propan-2-yl] carbamate
CID 174671822
4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 123327460
tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
CID 67125790
1-[(1R,3R)-3-methoxycyclopentyl]-3-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propan-2-one
CID 58567294
4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine
CID 60871032
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 174256279
2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
CID 154365304
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
(3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43599525
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbaldehyde
CID 55101087
4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine
CID 126808096

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride?
The IUPAC name of 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride (CID 67125798) is 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride.
What is the SMILES notation for 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride?
The canonical SMILES for 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride is Cl.Cl.Cl.NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1.
What is the InChIKey of 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride?
The InChIKey is GSVCGVVWZMJASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S.3ClH/c20-16-3-1-15(2-4-16)6-9-22-10-12-23(13-11-22)19-17-7-14-24-18(17)5-8-21-19;;;/h5,7-8,14-16H,1-4,6,9-13,20H2;3*1H.
What are the key properties of 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride?
4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride has a molecular weight of 453.91 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride is sourced from PubChem (CID 67125798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).