(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone

C15H21NO3 — CID 107406615

IUPAC(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C15H21NO3/c1-15(18)8-5-10-16(11-9-15)14(17)12-6-3-4-7-13(12)19-2/h3-4,6-7,18H,5,8-11H2,1-2H3
InChIKeyYRZYCXRBJYSHSZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds2

About (4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone

(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 107406615) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
PubChem CID107406615
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C15H21NO3/c1-15(18)8-5-10-16(11-9-15)14(17)12-6-3-4-7-13(12)19-2/h3-4,6-7,18H,5,8-11H2,1-2H3
InChIKeyYRZYCXRBJYSHSZ-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methoxyphenyl)ethanone
CID 107405297
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
(2-hydroxy-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404889
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834
[2-(difluoromethoxy)phenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875311
(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404168
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404373
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone (CID 107406615) is (4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of (4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is YRZYCXRBJYSHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(18)8-5-10-16(11-9-15)14(17)12-6-3-4-7-13(12)19-2/h3-4,6-7,18H,5,8-11H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone?
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 107406615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).