(1-benzyl-2-methylazetidin-2-yl)methanol

C12H17NO — CID 53343747

IUPAC(1-benzyl-2-methylazetidin-2-yl)methanol
SMILESCC1(CO)CCN1Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-12(10-14)7-8-13(12)9-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyWBDSZTLSLJMLIR-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.64
Rot. Bonds3

About (1-benzyl-2-methylazetidin-2-yl)methanol

(1-benzyl-2-methylazetidin-2-yl)methanol (PubChem CID 53343747) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1-benzyl-2-methylazetidin-2-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-2-methylazetidin-2-yl)methanol
PubChem CID53343747
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1-benzyl-2-methylazetidin-2-yl)methanol
SMILESCC1(CO)CCN1Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-12(10-14)7-8-13(12)9-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyWBDSZTLSLJMLIR-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol
CID 99859032
[1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol
CID 102554152
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
4-[(2-benzyl-2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122032957
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
CID 19704375
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
6-benzyl-1-oxa-6-azaspiro[2.3]hexane
CID 56995453
1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
CID 163258380

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-methylazetidin-2-yl)methanol?
The IUPAC name of (1-benzyl-2-methylazetidin-2-yl)methanol (CID 53343747) is (1-benzyl-2-methylazetidin-2-yl)methanol.
What is the SMILES notation for (1-benzyl-2-methylazetidin-2-yl)methanol?
The canonical SMILES for (1-benzyl-2-methylazetidin-2-yl)methanol is CC1(CO)CCN1Cc1ccccc1.
What is the InChIKey of (1-benzyl-2-methylazetidin-2-yl)methanol?
The InChIKey is WBDSZTLSLJMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(10-14)7-8-13(12)9-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3.
What are the key properties of (1-benzyl-2-methylazetidin-2-yl)methanol?
(1-benzyl-2-methylazetidin-2-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-methylazetidin-2-yl)methanol is sourced from PubChem (CID 53343747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).