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

C16H29NO2 — CID 79559850

IUPAC1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1CC1(O)CCCCC1
InChIInChI=1S/C16H29NO2/c1-14(18)12-15-8-4-2-7-11-17(15)13-16(19)9-5-3-6-10-16/h15,19H,2-13H2,1H3
InChIKeyUUALGTMSXSQOSB-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.91
Rot. Bonds4

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

1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one (PubChem CID 79559850) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one
PubChem CID79559850
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1CC1(O)CCCCC1
InChIInChI=1S/C16H29NO2/c1-14(18)12-15-8-4-2-7-11-17(15)13-16(19)9-5-3-6-10-16/h15,19H,2-13H2,1H3
InChIKeyUUALGTMSXSQOSB-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one
CID 79536181
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-morpholin-4-ylethyl)piperidin-2-yl]propan-2-one
CID 79539535
1-[1-(2,3-dihydroxypropyl)azepan-2-yl]propan-2-one
CID 82851054
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]azepan-2-yl]propan-2-one?
The IUPAC name of 1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one (CID 79559850) is 1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one is CC(=O)CC1CCCCCN1CC1(O)CCCCC1.
What is the InChIKey of 1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one?
The InChIKey is UUALGTMSXSQOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-14(18)12-15-8-4-2-7-11-17(15)13-16(19)9-5-3-6-10-16/h15,19H,2-13H2,1H3.
What are the key properties of 1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one?
1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one has a molecular weight of 267.41 g/mol, XLogP of 2.91, 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]azepan-2-yl]propan-2-one is sourced from PubChem (CID 79559850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).