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

C19H28N4S — CID 123327460

IUPAC4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCN(c3ccnc4sccc34)CC2)CC1
InChIInChI=1S/C19H28N4S/c20-16-3-1-15(2-4-16)6-9-22-10-12-23(13-11-22)18-5-8-21-19-17(18)7-14-24-19/h5,7-8,14-16H,1-4,6,9-13,20H2
InChIKeyVNMRKCGCRXYHPE-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.33
Rot. Bonds4

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

4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 123327460) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is 4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine
PubChem CID123327460
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC Name4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCN(c3ccnc4sccc34)CC2)CC1
InChIInChI=1S/C19H28N4S/c20-16-3-1-15(2-4-16)6-9-22-10-12-23(13-11-22)18-5-8-21-19-17(18)7-14-24-19/h5,7-8,14-16H,1-4,6,9-13,20H2
InChIKeyVNMRKCGCRXYHPE-UHFFFAOYSA-N
XLogP3.33
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride
CID 67125798
4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine
CID 132554244
(3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine
CID 141411026
[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-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
CID 67125790
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68813544
2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
CID 154365304
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-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine
CID 159832706
4-[2-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]ethyl]-4-fluorocyclohexan-1-amine
CID 165174499

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine (CID 123327460) is 4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCN(c3ccnc4sccc34)CC2)CC1.
What is the InChIKey of 4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is VNMRKCGCRXYHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S/c20-16-3-1-15(2-4-16)6-9-22-10-12-23(13-11-22)18-5-8-21-19-17(18)7-14-24-19/h5,7-8,14-16H,1-4,6,9-13,20H2.
What are the key properties of 4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 344.53 g/mol, XLogP of 3.33, 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[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 123327460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).