2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine

C16H32N2 — CID 64753096

IUPAC2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(C2CC(C)CC(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-13-10-14(2)12-16(11-13)18-8-5-15(6-9-18)4-7-17-3/h13-17H,4-12H2,1-3H3
InChIKeyKNZHUWNHYTWEPB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds4

About 2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine

2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine (PubChem CID 64753096) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine
PubChem CID64753096
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(C2CC(C)CC(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-13-10-14(2)12-16(11-13)18-8-5-15(6-9-18)4-7-17-3/h13-17H,4-12H2,1-3H3
InChIKeyKNZHUWNHYTWEPB-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine (CID 64753096) is 2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(C2CC(C)CC(C)C2)CC1.
What is the InChIKey of 2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is KNZHUWNHYTWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-10-14(2)12-16(11-13)18-8-5-15(6-9-18)4-7-17-3/h13-17H,4-12H2,1-3H3.
What are the key properties of 2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine?
2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 64753096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).