1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone

C14H26N2O — CID 25219596

IUPAC1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCC(C)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-11-3-5-13(6-4-11)15-14-7-9-16(10-8-14)12(2)17/h11,13-15H,3-10H2,1-2H3
InChIKeyWIEIGZKHHGDNGV-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds2

About 1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone

1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone (PubChem CID 25219596) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone
PubChem CID25219596
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCC(C)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-11-3-5-13(6-4-11)15-14-7-9-16(10-8-14)12(2)17/h11,13-15H,3-10H2,1-2H3
InChIKeyWIEIGZKHHGDNGV-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone (CID 25219596) is 1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2CCC(C)CC2)CC1.
What is the InChIKey of 1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone?
The InChIKey is WIEIGZKHHGDNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-3-5-13(6-4-11)15-14-7-9-16(10-8-14)12(2)17/h11,13-15H,3-10H2,1-2H3.
What are the key properties of 1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone?
1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 25219596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).