[4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate

C14H26N2O2 — CID 123199733

IUPAC[4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate
SMILESCNC1CCC(OC(=O)CC2CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-15-12-2-4-13(5-3-12)18-14(17)10-11-6-8-16-9-7-11/h11-13,15-16H,2-10H2,1H3
InChIKeyFPJDCUSZEORIME-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.45
Rot. Bonds4

About [4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate

[4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate (PubChem CID 123199733) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate.

Molecular Properties

Compound Name[4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate
PubChem CID123199733
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate
SMILESCNC1CCC(OC(=O)CC2CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-15-12-2-4-13(5-3-12)18-14(17)10-11-6-8-16-9-7-11/h11-13,15-16H,2-10H2,1H3
InChIKeyFPJDCUSZEORIME-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate?
The IUPAC name of [4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate (CID 123199733) is [4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate.
What is the SMILES notation for [4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate?
The canonical SMILES for [4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate is CNC1CCC(OC(=O)CC2CCNCC2)CC1.
What is the InChIKey of [4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate?
The InChIKey is FPJDCUSZEORIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-12-2-4-13(5-3-12)18-14(17)10-11-6-8-16-9-7-11/h11-13,15-16H,2-10H2,1H3.
What are the key properties of [4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate?
[4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate has a molecular weight of 254.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)cyclohexyl] 2-piperidin-4-ylacetate is sourced from PubChem (CID 123199733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).