1-(4-cyclohexylpiperidin-4-yl)propan-2-one

C14H25NO — CID 21018604

IUPAC1-(4-cyclohexylpiperidin-4-yl)propan-2-one
SMILESCC(=O)CC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C14H25NO/c1-12(16)11-14(7-9-15-10-8-14)13-5-3-2-4-6-13/h13,15H,2-11H2,1H3
InChIKeyKMQRHQMVBUUYTF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-cyclohexylpiperidin-4-yl)propan-2-one

1-(4-cyclohexylpiperidin-4-yl)propan-2-one (PubChem CID 21018604) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-cyclohexylpiperidin-4-yl)propan-2-one
PubChem CID21018604
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(4-cyclohexylpiperidin-4-yl)propan-2-one
SMILESCC(=O)CC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C14H25NO/c1-12(16)11-14(7-9-15-10-8-14)13-5-3-2-4-6-13/h13,15H,2-11H2,1H3
InChIKeyKMQRHQMVBUUYTF-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperidin-4-yl)propan-2-one?
The IUPAC name of 1-(4-cyclohexylpiperidin-4-yl)propan-2-one (CID 21018604) is 1-(4-cyclohexylpiperidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(4-cyclohexylpiperidin-4-yl)propan-2-one?
The canonical SMILES for 1-(4-cyclohexylpiperidin-4-yl)propan-2-one is CC(=O)CC1(C2CCCCC2)CCNCC1.
What is the InChIKey of 1-(4-cyclohexylpiperidin-4-yl)propan-2-one?
The InChIKey is KMQRHQMVBUUYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(16)11-14(7-9-15-10-8-14)13-5-3-2-4-6-13/h13,15H,2-11H2,1H3.
What are the key properties of 1-(4-cyclohexylpiperidin-4-yl)propan-2-one?
1-(4-cyclohexylpiperidin-4-yl)propan-2-one has a molecular weight of 223.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperidin-4-yl)propan-2-one is sourced from PubChem (CID 21018604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).