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

C12H24N2O — CID 114683846

IUPAC1-(azepan-4-yl)-3-methylpiperidin-4-ol
SMILESCC1CN(C2CCCNCC2)CCC1O
InChIInChI=1S/C12H24N2O/c1-10-9-14(8-5-12(10)15)11-3-2-6-13-7-4-11/h10-13,15H,2-9H2,1H3
InChIKeyIJTKNEQDFYLOAX-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.83
Rot. Bonds1

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

1-(azepan-4-yl)-3-methylpiperidin-4-ol (PubChem CID 114683846) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(azepan-4-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(azepan-4-yl)-3-methylpiperidin-4-ol
PubChem CID114683846
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(azepan-4-yl)-3-methylpiperidin-4-ol
SMILESCC1CN(C2CCCNCC2)CCC1O
InChIInChI=1S/C12H24N2O/c1-10-9-14(8-5-12(10)15)11-3-2-6-13-7-4-11/h10-13,15H,2-9H2,1H3
InChIKeyIJTKNEQDFYLOAX-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol
CID 129381092
1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol
CID 103983594
4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane
CID 63902936
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-ol
CID 114502422
3-methyl-1-piperidin-4-ylpiperidine
CID 2760044
4-methyl-1-pyrrolidin-3-ylpiperidin-3-ol
CID 102969108
1,4-diazabicyclo[6.2.0]decane
CID 118210284
1-(azepan-4-yl)-3-methylazetidin-3-ol
CID 131182366
4-methyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 56831594
3-methyl-1-azabicyclo[2.2.0]hexane;piperidine
CID 118163643
4-(4-propan-2-ylpiperazin-1-yl)azepane
CID 63903106
(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114678294

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-4-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(azepan-4-yl)-3-methylpiperidin-4-ol (CID 114683846) is 1-(azepan-4-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(azepan-4-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(azepan-4-yl)-3-methylpiperidin-4-ol is CC1CN(C2CCCNCC2)CCC1O.
What is the InChIKey of 1-(azepan-4-yl)-3-methylpiperidin-4-ol?
The InChIKey is IJTKNEQDFYLOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-9-14(8-5-12(10)15)11-3-2-6-13-7-4-11/h10-13,15H,2-9H2,1H3.
What are the key properties of 1-(azepan-4-yl)-3-methylpiperidin-4-ol?
1-(azepan-4-yl)-3-methylpiperidin-4-ol has a molecular weight of 212.34 g/mol, XLogP of 0.83, 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-methylpiperidin-4-ol is sourced from PubChem (CID 114683846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).