3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol

C11H22N2O — CID 130746790

IUPAC3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol
SMILESCC1(C)CN(C2CNCCC2(C)O)C1
InChIInChI=1S/C11H22N2O/c1-10(2)7-13(8-10)9-6-12-5-4-11(9,3)14/h9,12,14H,4-8H2,1-3H3
InChIKeyCXDADRBWEJZIFC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.44
Rot. Bonds1

About 3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol

3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol (PubChem CID 130746790) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol
PubChem CID130746790
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol
SMILESCC1(C)CN(C2CNCCC2(C)O)C1
InChIInChI=1S/C11H22N2O/c1-10(2)7-13(8-10)9-6-12-5-4-11(9,3)14/h9,12,14H,4-8H2,1-3H3
InChIKeyCXDADRBWEJZIFC-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol
CID 114249762
(3R,4S)-4-methylpiperidine-3,4-diol
CID 55285415
(3R)-3,4-dimethylpiperidin-4-ol
CID 153404832
1-(4-hydroxy-4-methylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide
CID 114249787
4-methyl-3-(4-methylpyrazol-1-yl)piperidin-4-ol
CID 130495448
1-(4,4-dimethylpiperidin-3-yl)-4-methylpiperazine
CID 117025957
(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile
CID 130972078
4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol
CID 130526877
2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide
CID 130495510
4-methyl-3-(2-methylpropoxy)piperidin-4-ol
CID 130495455
3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol
CID 130495487
4-methyl-3-(morpholin-4-ylmethyl)piperidin-4-ol
CID 105467939

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol (CID 130746790) is 3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol is CC1(C)CN(C2CNCCC2(C)O)C1.
What is the InChIKey of 3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol?
The InChIKey is CXDADRBWEJZIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)7-13(8-10)9-6-12-5-4-11(9,3)14/h9,12,14H,4-8H2,1-3H3.
What are the key properties of 3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol?
3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol has a molecular weight of 198.31 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 130746790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).