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

C7H16ClNO — CID 175654046

IUPAC(4S)-1-methylazepan-4-ol;hydrochloride
SMILESCN1CCC[C@H](O)CC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-8-5-2-3-7(9)4-6-8;/h7,9H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeyYZAFECYMZTWTGX-FJXQXJEOSA-N
MW165.66 g/mol
LogP0.88
Rot. Bonds

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

(4S)-1-methylazepan-4-ol;hydrochloride (PubChem CID 175654046) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is (4S)-1-methylazepan-4-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-1-methylazepan-4-ol;hydrochloride
PubChem CID175654046
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name(4S)-1-methylazepan-4-ol;hydrochloride
SMILESCN1CCC[C@H](O)CC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-8-5-2-3-7(9)4-6-8;/h7,9H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeyYZAFECYMZTWTGX-FJXQXJEOSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-methylazepan-4-ol
CID 29414429
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
cyclopentanol;dihydrochloride
CID 86599054
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

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methylazepan-4-ol;hydrochloride?
The IUPAC name of (4S)-1-methylazepan-4-ol;hydrochloride (CID 175654046) is (4S)-1-methylazepan-4-ol;hydrochloride.
What is the SMILES notation for (4S)-1-methylazepan-4-ol;hydrochloride?
The canonical SMILES for (4S)-1-methylazepan-4-ol;hydrochloride is CN1CCC[C@H](O)CC1.Cl.
What is the InChIKey of (4S)-1-methylazepan-4-ol;hydrochloride?
The InChIKey is YZAFECYMZTWTGX-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-8-5-2-3-7(9)4-6-8;/h7,9H,2-6H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (4S)-1-methylazepan-4-ol;hydrochloride?
(4S)-1-methylazepan-4-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.88, 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;hydrochloride is sourced from PubChem (CID 175654046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).