4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine

C18H29N3 — CID 10684726

IUPAC4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H29N3/c19-17-8-6-16(7-9-17)10-11-20-12-14-21(15-13-20)18-4-2-1-3-5-18/h1-5,16-17H,6-15,19H2
InChIKeyPTJVENXUBXYLGL-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.72
Rot. Bonds4

About 4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine

4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 10684726) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
PubChem CID10684726
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H29N3/c19-17-8-6-16(7-9-17)10-11-20-12-14-21(15-13-20)18-4-2-1-3-5-18/h1-5,16-17H,6-15,19H2
InChIKeyPTJVENXUBXYLGL-UHFFFAOYSA-N
XLogP2.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68813544
1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine
CID 171069708
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68811439
3-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
CID 10667957
1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine
CID 171355756
1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
CID 91831285
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 23627585
1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione
CID 21389701
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
CID 141293309

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine (CID 10684726) is 4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is PTJVENXUBXYLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c19-17-8-6-16(7-9-17)10-11-20-12-14-21(15-13-20)18-4-2-1-3-5-18/h1-5,16-17H,6-15,19H2.
What are the key properties of 4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 10684726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).