(4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone

C14H26N2O2 — CID 107404728

IUPAC(4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone
SMILESCC1NCCCC1C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C14H26N2O2/c1-11-12(5-3-8-15-11)13(17)16-9-4-6-14(2,18)7-10-16/h11-12,15,18H,3-10H2,1-2H3
InChIKeyIURDIEDODYFFBN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds1

About (4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone

(4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone (PubChem CID 107404728) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone
PubChem CID107404728
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone
SMILESCC1NCCCC1C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C14H26N2O2/c1-11-12(5-3-8-15-11)13(17)16-9-4-6-14(2,18)7-10-16/h11-12,15,18H,3-10H2,1-2H3
InChIKeyIURDIEDODYFFBN-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-3-yl)methanone
CID 81115944
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 81103357
[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 97050947
(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404307
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114424311
4-ethyl-1-(2-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 79384911
1-(4-hydroxy-4-methylazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 107405797
(4-hydroxy-4-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 107404418
1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
CID 107406558
2-(4,4-dimethylazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976964
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone (CID 107404728) is (4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone is CC1NCCCC1C(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of (4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone?
The InChIKey is IURDIEDODYFFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-12(5-3-8-15-11)13(17)16-9-4-6-14(2,18)7-10-16/h11-12,15,18H,3-10H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone?
(4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 107404728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).