[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol

C12H17NO2 — CID 126483740

IUPAC[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
SMILESOC[C@@H]1C[C@@](CO)(Cc2ccccc2)N1
InChIInChI=1S/C12H17NO2/c14-8-11-7-12(9-15,13-11)6-10-4-2-1-3-5-10/h1-5,11,13-15H,6-9H2/t11-,12+/m0/s1
InChIKeyAVFLGHPBJOZHSV-NWDGAFQWSA-N
MW207.27 g/mol
LogP0.31
Rot. Bonds4

About [(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol

[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol (PubChem CID 126483740) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
PubChem CID126483740
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
SMILESOC[C@@H]1C[C@@](CO)(Cc2ccccc2)N1
InChIInChI=1S/C12H17NO2/c14-8-11-7-12(9-15,13-11)6-10-4-2-1-3-5-10/h1-5,11,13-15H,6-9H2/t11-,12+/m0/s1
InChIKeyAVFLGHPBJOZHSV-NWDGAFQWSA-N
XLogP0.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 100949010
(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 102580214
2-(3,5-dibenzylpyrrolidin-3-yl)ethanol
CID 174325742
4,4-dibenzylimidazolidine
CID 91332332
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
(4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol
CID 23244042
(5-benzylpiperidin-2-yl)methanol
CID 117000443
4-benzylpiperidine-4-carboxylic acid
CID 18365178
1-benzyl-2-cyclopropylcyclopropan-1-amine
CID 84661114
3-benzylazetidin-3-ol;hydrochloride
CID 67974163
[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475
[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol (CID 126483740) is [(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol is OC[C@@H]1C[C@@](CO)(Cc2ccccc2)N1.
What is the InChIKey of [(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol?
The InChIKey is AVFLGHPBJOZHSV-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H17NO2/c14-8-11-7-12(9-15,13-11)6-10-4-2-1-3-5-10/h1-5,11,13-15H,6-9H2/t11-,12+/m0/s1.
What are the key properties of [(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol?
[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol has a molecular weight of 207.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol is sourced from PubChem (CID 126483740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).