1-(azepan-4-yl)-3-methylazetidin-3-ol

C10H20N2O — CID 131182366

IUPAC1-(azepan-4-yl)-3-methylazetidin-3-ol
SMILESCC1(O)CN(C2CCCNCC2)C1
InChIInChI=1S/C10H20N2O/c1-10(13)7-12(8-10)9-3-2-5-11-6-4-9/h9,11,13H,2-8H2,1H3
InChIKeyDMSFSJXMUYLVIJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.20
Rot. Bonds1

About 1-(azepan-4-yl)-3-methylazetidin-3-ol

1-(azepan-4-yl)-3-methylazetidin-3-ol (PubChem CID 131182366) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(azepan-4-yl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(azepan-4-yl)-3-methylazetidin-3-ol
PubChem CID131182366
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(azepan-4-yl)-3-methylazetidin-3-ol
SMILESCC1(O)CN(C2CCCNCC2)C1
InChIInChI=1S/C10H20N2O/c1-10(13)7-12(8-10)9-3-2-5-11-6-4-9/h9,11,13H,2-8H2,1H3
InChIKeyDMSFSJXMUYLVIJ-UHFFFAOYSA-N
XLogP0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-piperidin-4-ylpiperidin-4-ol;hydrochloride
CID 75464899
1-piperidin-4-yl-1,4-diazepane
CID 53414008
3-cyclopropyl-1-piperidin-4-ylazetidin-3-ol
CID 130963860
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
4-(4-propan-2-ylpiperazin-1-yl)azepane
CID 63903106
3,3-dimethyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735226
4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane
CID 63902936
1-piperidin-4-ylpiperidine chloride
CID 3083875
1,4-diazabicyclo[6.2.0]decane
CID 118210284
1-(azepan-4-yl)-3-methylpiperidin-4-ol
CID 114683846
1-azabicyclo[3.2.0]heptane;azepane
CID 57473310
azane;1-piperidin-4-ylpiperidine;platinum(2+);dichloride
CID 10297684

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-4-yl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(azepan-4-yl)-3-methylazetidin-3-ol (CID 131182366) is 1-(azepan-4-yl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(azepan-4-yl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(azepan-4-yl)-3-methylazetidin-3-ol is CC1(O)CN(C2CCCNCC2)C1.
What is the InChIKey of 1-(azepan-4-yl)-3-methylazetidin-3-ol?
The InChIKey is DMSFSJXMUYLVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(13)7-12(8-10)9-3-2-5-11-6-4-9/h9,11,13H,2-8H2,1H3.
What are the key properties of 1-(azepan-4-yl)-3-methylazetidin-3-ol?
1-(azepan-4-yl)-3-methylazetidin-3-ol has a molecular weight of 184.28 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-4-yl)-3-methylazetidin-3-ol is sourced from PubChem (CID 131182366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).