[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone

C14H27N3O — CID 63337916

IUPAC[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone
SMILESCC(CN)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(11-15)16-7-9-17(10-8-16)14(18)13-5-3-2-4-6-13/h12-13H,2-11,15H2,1H3
InChIKeyHYDCPUHTKYYAJG-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds3

About [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone

[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone (PubChem CID 63337916) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone
PubChem CID63337916
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone
SMILESCC(CN)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(11-15)16-7-9-17(10-8-16)14(18)13-5-3-2-4-6-13/h12-13H,2-11,15H2,1H3
InChIKeyHYDCPUHTKYYAJG-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone
CID 63337316
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
CID 47446704
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
CID 82023468
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 114824162
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone (CID 63337916) is [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone is CC(CN)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is HYDCPUHTKYYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(11-15)16-7-9-17(10-8-16)14(18)13-5-3-2-4-6-13/h12-13H,2-11,15H2,1H3.
What are the key properties of [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone?
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 63337916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).