[1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol

C12H17NO2 — CID 14654425

IUPAC[1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
SMILESOCC1CC(CO)N1Cc1ccccc1
InChIInChI=1S/C12H17NO2/c14-8-11-6-12(9-15)13(11)7-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2
InChIKeySTVDKEPRJUNWSZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.61
Rot. Bonds4

About [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol

[1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol (PubChem CID 14654425) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
PubChem CID14654425
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
SMILESOCC1CC(CO)N1Cc1ccccc1
InChIInChI=1S/C12H17NO2/c14-8-11-6-12(9-15)13(11)7-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2
InChIKeySTVDKEPRJUNWSZ-UHFFFAOYSA-N
XLogP0.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol?
The IUPAC name of [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol (CID 14654425) is [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol?
The canonical SMILES for [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol is OCC1CC(CO)N1Cc1ccccc1.
What is the InChIKey of [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol?
The InChIKey is STVDKEPRJUNWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-8-11-6-12(9-15)13(11)7-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2.
What are the key properties of [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol?
[1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol has a molecular weight of 207.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol is sourced from PubChem (CID 14654425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).