[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol

C11H22N2O — CID 107391013

IUPAC[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CCC2CNC2)CC1
InChIInChI=1S/C11H22N2O/c14-9-10-1-4-13(5-2-10)6-3-11-7-12-8-11/h10-12,14H,1-9H2
InChIKeyVESRATOYYJZHMN-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.30
Rot. Bonds4

About [1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol

[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol (PubChem CID 107391013) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol
PubChem CID107391013
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CCC2CNC2)CC1
InChIInChI=1S/C11H22N2O/c14-9-10-1-4-13(5-2-10)6-3-11-7-12-8-11/h10-12,14H,1-9H2
InChIKeyVESRATOYYJZHMN-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(azetidin-2-yl)ethyl]piperidin-4-yl]methanol
CID 123835791
1-[2-(azetidin-3-yl)ethyl]-4-methylazepane
CID 116680054
1-[2-(azetidin-3-yl)ethyl]azetidin-3-ol
CID 126580737
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
2-[4-(2-piperidin-3-ylethyl)piperazin-1-yl]ethanol
CID 53408974
1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
CID 56831674
4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane
CID 116679964
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
N-[[1-(2-piperidin-3-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736376
1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane
CID 145259630

Frequently Asked Questions

What is the IUPAC name of [1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol (CID 107391013) is [1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol is OCC1CCN(CCC2CNC2)CC1.
What is the InChIKey of [1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol?
The InChIKey is VESRATOYYJZHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c14-9-10-1-4-13(5-2-10)6-3-11-7-12-8-11/h10-12,14H,1-9H2.
What are the key properties of [1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol?
[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol has a molecular weight of 198.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 107391013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).