2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one

C18H33NO2 — CID 174254854

IUPAC2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one
SMILESCC1CCC(OCCC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C18H33NO2/c1-14(2)18(20)19-11-8-16(9-12-19)10-13-21-17-6-4-15(3)5-7-17/h14-17H,4-13H2,1-3H3
InChIKeyPFVOXINTFLKSGY-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.87
Rot. Bonds5

About 2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one (PubChem CID 174254854) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one
PubChem CID174254854
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one
SMILESCC1CCC(OCCC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C18H33NO2/c1-14(2)18(20)19-11-8-16(9-12-19)10-13-21-17-6-4-15(3)5-7-17/h14-17H,4-13H2,1-3H3
InChIKeyPFVOXINTFLKSGY-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 121200732
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 166113429
2-methyl-1-[4-[3-(methylidene-λ3-iodanyl)propoxy]piperidin-1-yl]propan-1-one
CID 163400095
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 165116537
1-(bromomethyl)-4-[2-(4-methylcyclohexyl)ethoxy]cyclohexane
CID 89042779
2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 165372802
(2S)-2-amino-3-methyl-1-[4-(3-methylbutoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119296128
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480595
[4-(2-hydroxyethoxy)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82691361
(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one (CID 174254854) is 2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one is CC1CCC(OCCC2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one?
The InChIKey is PFVOXINTFLKSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-14(2)18(20)19-11-8-16(9-12-19)10-13-21-17-6-4-15(3)5-7-17/h14-17H,4-13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one has a molecular weight of 295.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 174254854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).