1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone

C14H26N2O2 — CID 43791048

IUPAC1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone
SMILESCOC1CCCCC1NC1CCN(C(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-11(17)16-9-7-12(8-10-16)15-13-5-3-4-6-14(13)18-2/h12-15H,3-10H2,1-2H3
InChIKeyAHJOKUPJYCSINK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.54
Rot. Bonds3

About 1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone

1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone (PubChem CID 43791048) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone
PubChem CID43791048
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone
SMILESCOC1CCCCC1NC1CCN(C(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-11(17)16-9-7-12(8-10-16)15-13-5-3-4-6-14(13)18-2/h12-15H,3-10H2,1-2H3
InChIKeyAHJOKUPJYCSINK-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone (CID 43791048) is 1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone is COC1CCCCC1NC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone?
The InChIKey is AHJOKUPJYCSINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(17)16-9-7-12(8-10-16)15-13-5-3-4-6-14(13)18-2/h12-15H,3-10H2,1-2H3.
What are the key properties of 1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone?
1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43791048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).