[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone

C15H28N2O — CID 113310414

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C15H28N2O/c1-12-3-7-15(11-16,8-4-12)14(18)17-9-5-13(2)6-10-17/h12-13H,3-11,16H2,1-2H3
InChIKeyWAXBVGALPYJDSC-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.40
Rot. Bonds2

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

[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 113310414) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID113310414
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C15H28N2O/c1-12-3-7-15(11-16,8-4-12)14(18)17-9-5-13(2)6-10-17/h12-13H,3-11,16H2,1-2H3
InChIKeyWAXBVGALPYJDSC-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone (CID 113310414) is [1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2(CN)CCC(C)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WAXBVGALPYJDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-3-7-15(11-16,8-4-12)14(18)17-9-5-13(2)6-10-17/h12-13H,3-11,16H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 113310414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).