2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol

C13H26N2O — CID 173240183

IUPAC2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol
SMILESCCC(C1CNC1)N1CCC(CCO)CC1
InChIInChI=1S/C13H26N2O/c1-2-13(12-9-14-10-12)15-6-3-11(4-7-15)5-8-16/h11-14,16H,2-10H2,1H3
InChIKeyWDUPKISWUAHFFH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.08
Rot. Bonds5

About 2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol

2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol (PubChem CID 173240183) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol
PubChem CID173240183
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol
SMILESCCC(C1CNC1)N1CCC(CCO)CC1
InChIInChI=1S/C13H26N2O/c1-2-13(12-9-14-10-12)15-6-3-11(4-7-15)5-8-16/h11-14,16H,2-10H2,1H3
InChIKeyWDUPKISWUAHFFH-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(azetidin-3-yl)propyl]-4-ethylpiperidine
CID 173239972
2-[5-amino-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol
CID 83989358
2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol
CID 131171989
2-[1-(1-methoxyethyl)piperidin-4-yl]ethanol
CID 57139820
1-[1-(1-cyclopropylpropyl)piperidin-4-yl]-N-methylmethanamine
CID 64918682
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one
CID 70094133
2-[1-(1-pyrrolidin-2-ylethyl)piperidin-4-yl]ethanol
CID 173240343
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
CID 114797618
[1-(1-cyclopropylpropyl)pyrrolidin-3-yl]methanamine
CID 64918269
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
1-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol
CID 126505597
2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol
CID 83999478

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol (CID 173240183) is 2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol is CCC(C1CNC1)N1CCC(CCO)CC1.
What is the InChIKey of 2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol?
The InChIKey is WDUPKISWUAHFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-13(12-9-14-10-12)15-6-3-11(4-7-15)5-8-16/h11-14,16H,2-10H2,1H3.
What are the key properties of 2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol?
2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(azetidin-3-yl)propyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 173240183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).