[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone

C14H27N3O — CID 63609214

IUPAC[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2(CN)CCCCC2)CCN1C
InChIInChI=1S/C14H27N3O/c1-12-10-17(9-8-16(12)2)13(18)14(11-15)6-4-3-5-7-14/h12H,3-11,15H2,1-2H3
InChIKeyUGNBAZIIJLOJMX-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds2

About [1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone

[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 63609214) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID63609214
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2(CN)CCCCC2)CCN1C
InChIInChI=1S/C14H27N3O/c1-12-10-17(9-8-16(12)2)13(18)14(11-15)6-4-3-5-7-14/h12H,3-11,15H2,1-2H3
InChIKeyUGNBAZIIJLOJMX-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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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone (CID 63609214) is [1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)C2(CN)CCCCC2)CCN1C.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is UGNBAZIIJLOJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-10-17(9-8-16(12)2)13(18)14(11-15)6-4-3-5-7-14/h12H,3-11,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone?
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)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 [1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63609214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).