[1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine

C18H29N3 — CID 24708363

IUPAC[1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine
SMILESCN1CCN(C2(CN)CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H29N3/c1-20-11-13-21(14-12-20)18(15-19)9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,17H,7-15,19H2,1H3
InChIKeySVUBHVLPWMXYBF-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.29
Rot. Bonds3

About [1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine

[1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine (PubChem CID 24708363) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is [1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine
PubChem CID24708363
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name[1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine
SMILESCN1CCN(C2(CN)CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H29N3/c1-20-11-13-21(14-12-20)18(15-19)9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,17H,7-15,19H2,1H3
InChIKeySVUBHVLPWMXYBF-UHFFFAOYSA-N
XLogP2.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine?
The IUPAC name of [1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine (CID 24708363) is [1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine is CN1CCN(C2(CN)CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of [1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine?
The InChIKey is SVUBHVLPWMXYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-11-13-21(14-12-20)18(15-19)9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,17H,7-15,19H2,1H3.
What are the key properties of [1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine?
[1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine is sourced from PubChem (CID 24708363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).