[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol

C12H16ClNO — CID 135038184

IUPAC[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol
SMILESOCC1(CCl)CN(Cc2ccccc2)C1
InChIInChI=1S/C12H16ClNO/c13-7-12(10-15)8-14(9-12)6-11-4-2-1-3-5-11/h1-5,15H,6-10H2
InChIKeyASMKHVSMGAVIKJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.72
Rot. Bonds4

About [1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol

[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol (PubChem CID 135038184) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol
PubChem CID135038184
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol
SMILESOCC1(CCl)CN(Cc2ccccc2)C1
InChIInChI=1S/C12H16ClNO/c13-7-12(10-15)8-14(9-12)6-11-4-2-1-3-5-11/h1-5,15H,6-10H2
InChIKeyASMKHVSMGAVIKJ-UHFFFAOYSA-N
XLogP1.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
CID 129179319
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine
CID 172523024
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-3-chloro-3-ethylazetidine
CID 135395939
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
CID 57416961

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol?
The IUPAC name of [1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol (CID 135038184) is [1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol is OCC1(CCl)CN(Cc2ccccc2)C1.
What is the InChIKey of [1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol?
The InChIKey is ASMKHVSMGAVIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-7-12(10-15)8-14(9-12)6-11-4-2-1-3-5-11/h1-5,15H,6-10H2.
What are the key properties of [1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol?
[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol has a molecular weight of 225.72 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol is sourced from PubChem (CID 135038184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).