1-(2-phenylpropyl)azetidin-3-ol

C12H17NO — CID 121200321

IUPAC1-(2-phenylpropyl)azetidin-3-ol
SMILESCC(CN1CC(O)C1)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(7-13-8-12(14)9-13)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3
InChIKeyCSROZMDQDHMKPX-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.47
Rot. Bonds3

About 1-(2-phenylpropyl)azetidin-3-ol

1-(2-phenylpropyl)azetidin-3-ol (PubChem CID 121200321) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2-phenylpropyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2-phenylpropyl)azetidin-3-ol
PubChem CID121200321
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2-phenylpropyl)azetidin-3-ol
SMILESCC(CN1CC(O)C1)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(7-13-8-12(14)9-13)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3
InChIKeyCSROZMDQDHMKPX-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-phenylpropyl]piperidine-3,4,5-triol
CID 157039301
1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol
CID 157039058
4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104592328
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
3-methyl-1-(2-phenylpropyl)piperazine
CID 65416584
4-[1-[(3aS,6aR)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-2-yl]phenol
CID 126687196
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
3-methyl-1-(2-phenylpropyl)piperidin-4-amine
CID 79879108
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 113430223
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropyl)azetidin-3-ol?
The IUPAC name of 1-(2-phenylpropyl)azetidin-3-ol (CID 121200321) is 1-(2-phenylpropyl)azetidin-3-ol.
What is the SMILES notation for 1-(2-phenylpropyl)azetidin-3-ol?
The canonical SMILES for 1-(2-phenylpropyl)azetidin-3-ol is CC(CN1CC(O)C1)c1ccccc1.
What is the InChIKey of 1-(2-phenylpropyl)azetidin-3-ol?
The InChIKey is CSROZMDQDHMKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(7-13-8-12(14)9-13)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3.
What are the key properties of 1-(2-phenylpropyl)azetidin-3-ol?
1-(2-phenylpropyl)azetidin-3-ol has a molecular weight of 191.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropyl)azetidin-3-ol is sourced from PubChem (CID 121200321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).