1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one

C16H29NO — CID 167284458

IUPAC1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1CCN(CC2CCC(C)CC2)CC1
InChIInChI=1S/C16H29NO/c1-3-16(18)15-8-10-17(11-9-15)12-14-6-4-13(2)5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyDMUPWCFUHITILN-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds4

About 1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one

1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one (PubChem CID 167284458) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one
PubChem CID167284458
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1CCN(CC2CCC(C)CC2)CC1
InChIInChI=1S/C16H29NO/c1-3-16(18)15-8-10-17(11-9-15)12-14-6-4-13(2)5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyDMUPWCFUHITILN-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propanamide
CID 175621352
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
CID 177134741
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
ethane;1-[4-[(4-hex-3-ynoxypiperidin-1-yl)methyl]cyclohexyl]propan-1-one
CID 176683543
[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone
CID 174287018
1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
CID 155739865
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798
2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone
CID 163127778

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one (CID 167284458) is 1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one is CCC(=O)C1CCN(CC2CCC(C)CC2)CC1.
What is the InChIKey of 1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one?
The InChIKey is DMUPWCFUHITILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-16(18)15-8-10-17(11-9-15)12-14-6-4-13(2)5-7-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one?
1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one has a molecular weight of 251.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 167284458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).