[(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol

C23H29NO2 — CID 11851098

IUPAC[(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol
SMILESCC1(C)[C@@H](CN2CCOCC2)[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-22(2)20(17-24-13-15-26-16-14-24)21(22)23(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21,25H,13-17H2,1-2H3/t20-,21+/m0/s1
InChIKeyVIAKMDZVZSAOGN-LEWJYISDSA-N
MW351.49 g/mol
LogP3.53
Rot. Bonds5

About [(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol

[(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol (PubChem CID 11851098) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is [(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol.

Molecular Properties

Compound Name[(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol
PubChem CID11851098
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name[(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol
SMILESCC1(C)[C@@H](CN2CCOCC2)[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-22(2)20(17-24-13-15-26-16-14-24)21(22)23(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21,25H,13-17H2,1-2H3/t20-,21+/m0/s1
InChIKeyVIAKMDZVZSAOGN-LEWJYISDSA-N
XLogP3.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenidol
CID 3055
Umeclidinium
CID 11519070
1-(2-Ethoxy-1-phenylethyl)-4-phenylpiperidin-4-ol
CID 44426817
(1R)-1-cyclohexyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol
CID 10269503
(R)-3-(3-methoxyquinuclidin-3-yl)-1,1-diphenylprop-2-yn-1-ol
CID 10291366
1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenylprop-2-yn-1-ol
CID 44406573
(1-Methylpiperidin-3-yl)-diphenylmethanol
CID 4354855
1-Methyl-alpha,alpha-diphenyl-4-piperidinemethanol
CID 201485
3-(4-Fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol hydrochloride
CID 45489331
2-(4-Benzylpiperidin-1-yl)-1-phenylethan-1-ol
CID 5189624
(S)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenylprop-2-yn-1-ol
CID 10269504
4-(3-Methoxyquinuclidin-3-yl)-1,2-diphenylbut-3-yn-2-ol
CID 44406346

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol?
The IUPAC name of [(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol (CID 11851098) is [(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol.
What is the SMILES notation for [(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol?
The canonical SMILES for [(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol is CC1(C)[C@@H](CN2CCOCC2)[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol?
The InChIKey is VIAKMDZVZSAOGN-LEWJYISDSA-N. The full InChI is InChI=1S/C23H29NO2/c1-22(2)20(17-24-13-15-26-16-14-24)21(22)23(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21,25H,13-17H2,1-2H3/t20-,21+/m0/s1.
What are the key properties of [(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol?
[(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol has a molecular weight of 351.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-2,2-dimethyl-3-(morpholin-4-ylmethyl)cyclopropyl]-diphenylmethanol is sourced from PubChem (CID 11851098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).