[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone

C14H27N3O — CID 106828078

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCN1CCN(C(=O)C2(C)CCCCC2)C(CN)C1
InChIInChI=1S/C14H27N3O/c1-14(6-4-3-5-7-14)13(18)17-9-8-16(2)11-12(17)10-15/h12H,3-11,15H2,1-2H3
InChIKeySDFMUECSYMQEQP-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone (PubChem CID 106828078) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone
PubChem CID106828078
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCN1CCN(C(=O)C2(C)CCCCC2)C(CN)C1
InChIInChI=1S/C14H27N3O/c1-14(6-4-3-5-7-14)13(18)17-9-8-16(2)11-12(17)10-15/h12H,3-11,15H2,1-2H3
InChIKeySDFMUECSYMQEQP-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

[2-(aminomethyl)piperazin-1-yl]-(1-methylcyclohexyl)methanone
CID 106826007
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 104872381
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
CID 80505035
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 80504912
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 80504874
[2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828939
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(thian-4-yl)ethanone
CID 83137766
2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
CID 80504793
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828022

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone (CID 106828078) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone is CN1CCN(C(=O)C2(C)CCCCC2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone?
The InChIKey is SDFMUECSYMQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(6-4-3-5-7-14)13(18)17-9-8-16(2)11-12(17)10-15/h12H,3-11,15H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106828078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).