[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone

C15H28N2O — CID 106828022

IUPAC[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC1CCCC(CN)N1C(=O)C1(C)CCCCC1
InChIInChI=1S/C15H28N2O/c1-12-7-6-8-13(11-16)17(12)14(18)15(2)9-4-3-5-10-15/h12-13H,3-11,16H2,1-2H3
InChIKeyNRCNNMPQZFSYPB-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.69
Rot. Bonds2

About [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone

[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone (PubChem CID 106828022) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
PubChem CID106828022
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC1CCCC(CN)N1C(=O)C1(C)CCCCC1
InChIInChI=1S/C15H28N2O/c1-12-7-6-8-13(11-16)17(12)14(18)15(2)9-4-3-5-10-15/h12-13H,3-11,16H2,1-2H3
InChIKeyNRCNNMPQZFSYPB-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone (CID 106828022) is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone is CC1CCCC(CN)N1C(=O)C1(C)CCCCC1.
What is the InChIKey of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone?
The InChIKey is NRCNNMPQZFSYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-7-6-8-13(11-16)17(12)14(18)15(2)9-4-3-5-10-15/h12-13H,3-11,16H2,1-2H3.
What are the key properties of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone?
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106828022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).