1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one

C15H27NO2 — CID 116572370

IUPAC1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one
SMILESCC1CCC(C(=O)CCOC2CCNCC2)CC1
InChIInChI=1S/C15H27NO2/c1-12-2-4-13(5-3-12)15(17)8-11-18-14-6-9-16-10-7-14/h12-14,16H,2-11H2,1H3
InChIKeySZWJNXFGIZXVRD-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.54
Rot. Bonds5

About 1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one

1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 116572370) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one
PubChem CID116572370
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one
SMILESCC1CCC(C(=O)CCOC2CCNCC2)CC1
InChIInChI=1S/C15H27NO2/c1-12-2-4-13(5-3-12)15(17)8-11-18-14-6-9-16-10-7-14/h12-14,16H,2-11H2,1H3
InChIKeySZWJNXFGIZXVRD-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-3-piperidin-4-yloxypropanamide
CID 63875270
1-piperidin-4-yloxyhept-6-yn-3-one
CID 116572339
1-(4-methylazepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63904324
1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one
CID 116572227
3-(3-piperidin-4-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 66030555
2-methylpropyl 3-piperidin-4-yloxypropanoate
CID 63869912
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
cyclopentyl 3-piperidin-4-yloxypropanoate
CID 55252240
N-(4-methylcyclohexyl)-2-piperidin-4-yloxyacetamide
CID 63876702
N-methyl-3-piperidin-4-yloxy-N-propan-2-ylpropanamide
CID 63876646
2-piperidin-4-yloxyethyl acetate;hydrochloride
CID 172841585

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one (CID 116572370) is 1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one is CC1CCC(C(=O)CCOC2CCNCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is SZWJNXFGIZXVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-2-4-13(5-3-12)15(17)8-11-18-14-6-9-16-10-7-14/h12-14,16H,2-11H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one?
1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 116572370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).