1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone

C15H28N2O2 — CID 131905563

IUPAC1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(O)CC(C)(C)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(18)16-7-4-13(5-8-16)17-9-6-14(19)10-15(2,3)11-17/h13-14,19H,4-11H2,1-3H3
InChIKeyQXQVSTSWEODCBT-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds1

About 1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone

1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone (PubChem CID 131905563) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone
PubChem CID131905563
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(O)CC(C)(C)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(18)16-7-4-13(5-8-16)17-9-6-14(19)10-15(2,3)11-17/h13-14,19H,4-11H2,1-3H3
InChIKeyQXQVSTSWEODCBT-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-dimethyl-1-(oxan-4-yl)azepan-4-ol
CID 131910172
1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 129406555
1-[4-(4-tert-butyl-3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 167883797
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
(5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone
CID 131962009
1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 110094675
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 114239065
1-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]piperidin-1-yl]ethanone
CID 90163867
1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
1-(4-bromopiperidin-1-yl)ethanone
CID 22894003
(2-chlorothiophen-3-yl)-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 138035972

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone (CID 131905563) is 1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC(O)CC(C)(C)C2)CC1.
What is the InChIKey of 1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone?
The InChIKey is QXQVSTSWEODCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(18)16-7-4-13(5-8-16)17-9-6-14(19)10-15(2,3)11-17/h13-14,19H,4-11H2,1-3H3.
What are the key properties of 1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone?
1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 131905563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).