dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol

C24H37NO — CID 124865263

IUPACdicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol
SMILESC[C@H](c1ccccc1)N1CC[C@H]1C(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H37NO/c1-19(20-11-5-2-6-12-20)25-18-17-23(25)24(26,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2,5-6,11-12,19,21-23,26H,3-4,7-10,13-18H2,1H3/t19-,23+/m1/s1
InChIKeyCKNQGYBCGDCJJQ-XXBNENTESA-N
MW355.57 g/mol
LogP5.71
Rot. Bonds5

About dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol

dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol (PubChem CID 124865263) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol.

Molecular Properties

Compound Namedicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol
PubChem CID124865263
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Namedicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol
SMILESC[C@H](c1ccccc1)N1CC[C@H]1C(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H37NO/c1-19(20-11-5-2-6-12-20)25-18-17-23(25)24(26,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2,5-6,11-12,19,21-23,26H,3-4,7-10,13-18H2,1H3/t19-,23+/m1/s1
InChIKeyCKNQGYBCGDCJJQ-XXBNENTESA-N
XLogP5.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diphenyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol
CID 124604999
2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol
CID 12025791
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate
CID 50901624
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
(4aS,8aS)-4-[(1R)-1-phenylethyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124857914

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol?
The IUPAC name of dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol (CID 124865263) is dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol.
What is the SMILES notation for dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol?
The canonical SMILES for dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol is C[C@H](c1ccccc1)N1CC[C@H]1C(O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol?
The InChIKey is CKNQGYBCGDCJJQ-XXBNENTESA-N. The full InChI is InChI=1S/C24H37NO/c1-19(20-11-5-2-6-12-20)25-18-17-23(25)24(26,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2,5-6,11-12,19,21-23,26H,3-4,7-10,13-18H2,1H3/t19-,23+/m1/s1.
What are the key properties of dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol?
dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol has a molecular weight of 355.57 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol is sourced from PubChem (CID 124865263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).