1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone

C14H25NO — CID 63844288

IUPAC1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC1CCCCC1
InChIInChI=1S/C14H25NO/c1-12(16)14-9-5-6-10-15(14)11-13-7-3-2-4-8-13/h13-14H,2-11H2,1H3
InChIKeyMJMFWYAFHNSKTQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone

1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone (PubChem CID 63844288) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
PubChem CID63844288
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC1CCCCC1
InChIInChI=1S/C14H25NO/c1-12(16)14-9-5-6-10-15(14)11-13-7-3-2-4-8-13/h13-14H,2-11H2,1H3
InChIKeyMJMFWYAFHNSKTQ-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone
CID 63845675
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone
CID 79610693
1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
CID 63844987
1-[1-(3-fluoropropyl)piperidin-2-yl]ethanone
CID 81105928
1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone
CID 63844463
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone
CID 65476989
1-[1-(2-methylbutyl)piperidin-2-yl]ethanone
CID 63846542
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
CID 112581184
1-(1-pent-3-ynylpiperidin-2-yl)ethanone
CID 104807764
1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone
CID 115513976

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone (CID 63844288) is 1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1CC1CCCCC1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone?
The InChIKey is MJMFWYAFHNSKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(16)14-9-5-6-10-15(14)11-13-7-3-2-4-8-13/h13-14H,2-11H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone?
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone has a molecular weight of 223.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63844288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).