[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

C16H31N3O — CID 62808544

IUPAC[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)12-18-7-9-19(10-8-18)16(20)15-5-3-14(11-17)4-6-15/h13-15H,3-12,17H2,1-2H3
InChIKeyKYXSLAWUCWHCGQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.55
Rot. Bonds4

About [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 62808544) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID62808544
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)12-18-7-9-19(10-8-18)16(20)15-5-3-14(11-17)4-6-15/h13-15H,3-12,17H2,1-2H3
InChIKeyKYXSLAWUCWHCGQ-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 60964122
[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62778021
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 62808544) is [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)C2CCC(CN)CC2)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is KYXSLAWUCWHCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)12-18-7-9-19(10-8-18)16(20)15-5-3-14(11-17)4-6-15/h13-15H,3-12,17H2,1-2H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 281.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62808544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).