[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone

C17H33N3O — CID 107174530

IUPAC[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC(CN)CN1CCN(C(=O)C2CCCCC2(C)C)CC1
InChIInChI=1S/C17H33N3O/c1-14(12-18)13-19-8-10-20(11-9-19)16(21)15-6-4-5-7-17(15,2)3/h14-15H,4-13,18H2,1-3H3
InChIKeyHVEHJPRAFQJUHZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.94
Rot. Bonds4

About [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone

[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107174530) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone
PubChem CID107174530
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC(CN)CN1CCN(C(=O)C2CCCCC2(C)C)CC1
InChIInChI=1S/C17H33N3O/c1-14(12-18)13-19-8-10-20(11-9-19)16(21)15-6-4-5-7-17(15,2)3/h14-15H,4-13,18H2,1-3H3
InChIKeyHVEHJPRAFQJUHZ-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107180739
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43251966
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107174637
[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183885
1-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-2-cyclohexylethanone
CID 43252003
[4-(bromomethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183985
2-[4-(2,2-dimethylcyclopentanecarbonyl)-1,4-diazepan-1-yl]acetic acid
CID 107175413
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107174639
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2-methylcyclopentyl)methanone
CID 107174533
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107183870
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone (CID 107174530) is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone is CC(CN)CN1CCN(C(=O)C2CCCCC2(C)C)CC1.
What is the InChIKey of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is HVEHJPRAFQJUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(12-18)13-19-8-10-20(11-9-19)16(21)15-6-4-5-7-17(15,2)3/h14-15H,4-13,18H2,1-3H3.
What are the key properties of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 295.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107174530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).