(4S)-1-methylazepan-4-ol

C7H15NO — CID 29414429

IUPAC(4S)-1-methylazepan-4-ol
SMILESCN1CCC[C@H](O)CC1
InChIInChI=1S/C7H15NO/c1-8-5-2-3-7(9)4-6-8/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyGLXOHWLGZMRLRM-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds

About (4S)-1-methylazepan-4-ol

(4S)-1-methylazepan-4-ol (PubChem CID 29414429) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (4S)-1-methylazepan-4-ol.

Molecular Properties

Compound Name(4S)-1-methylazepan-4-ol
PubChem CID29414429
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(4S)-1-methylazepan-4-ol
SMILESCN1CCC[C@H](O)CC1
InChIInChI=1S/C7H15NO/c1-8-5-2-3-7(9)4-6-8/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyGLXOHWLGZMRLRM-ZETCQYMHSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-methylazepan-4-ol;hydrochloride
CID 175654046
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
4-(1-methylpiperidin-4-yl)cyclohexan-1-ol
CID 58103882
1-methylpiperidin-4-ol;nitric acid
CID 69230508
1-methylazepan-3-ol
CID 22636113
1-[[(3R)-1-methylpiperidin-3-yl]methyl]piperidin-4-ol
CID 156719953
1-hydroxyazepan-4-ol
CID 57473453
ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
CID 143899908
1-(methylamino)azepan-4-ol
CID 167227083
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940
(4R)-1,4,5-trimethylazepane
CID 89169089
(4R,7R)-1,7-dimethylazepan-4-ol
CID 167089908

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methylazepan-4-ol?
The IUPAC name of (4S)-1-methylazepan-4-ol (CID 29414429) is (4S)-1-methylazepan-4-ol.
What is the SMILES notation for (4S)-1-methylazepan-4-ol?
The canonical SMILES for (4S)-1-methylazepan-4-ol is CN1CCC[C@H](O)CC1.
What is the InChIKey of (4S)-1-methylazepan-4-ol?
The InChIKey is GLXOHWLGZMRLRM-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-8-5-2-3-7(9)4-6-8/h7,9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-1-methylazepan-4-ol?
(4S)-1-methylazepan-4-ol has a molecular weight of 129.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methylazepan-4-ol is sourced from PubChem (CID 29414429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).