1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one

C15H27NO2 — CID 79536181

IUPAC1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC1(O)CCCCC1
InChIInChI=1S/C15H27NO2/c1-13(17)11-14-7-3-6-10-16(14)12-15(18)8-4-2-5-9-15/h14,18H,2-12H2,1H3
InChIKeyCFWZKIRXVXOZEK-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.52
Rot. Bonds4

About 1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one

1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one (PubChem CID 79536181) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one
PubChem CID79536181
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC1(O)CCCCC1
InChIInChI=1S/C15H27NO2/c1-13(17)11-14-7-3-6-10-16(14)12-15(18)8-4-2-5-9-15/h14,18H,2-12H2,1H3
InChIKeyCFWZKIRXVXOZEK-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one
CID 79559850
1-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65213774
1-(1-prop-2-ynylazepan-2-yl)propan-2-one
CID 79560607
1-[(4aR,9aR)-1-[(1-hydroxycycloheptyl)methyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 155994689
1-[1-(2-hydroxy-2-methylpropyl)azepan-2-yl]propan-2-one
CID 79560522
1-[1-(2-morpholin-4-ylethyl)azepan-2-yl]propan-2-one
CID 79560854
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849
1-[1-(2,3-dihydroxypropyl)azepan-2-yl]propan-2-one
CID 82851054
1-[1-(2-morpholin-4-ylethyl)piperidin-2-yl]propan-2-one
CID 79539535
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
1-[1-[3-(dimethylamino)propyl]azepan-2-yl]propan-2-one
CID 114525397

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one (CID 79536181) is 1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1CC1(O)CCCCC1.
What is the InChIKey of 1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one?
The InChIKey is CFWZKIRXVXOZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-13(17)11-14-7-3-6-10-16(14)12-15(18)8-4-2-5-9-15/h14,18H,2-12H2,1H3.
What are the key properties of 1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one?
1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one has a molecular weight of 253.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79536181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).