3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol

C21H32N2O — CID 97202997

IUPAC3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol
SMILESOCCCN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2
InChIInChI=1S/C21H32N2O/c24-14-4-11-22-12-9-21(10-13-22)15-19(18-5-2-1-3-6-18)16-23(17-21)20-7-8-20/h1-3,5-6,19-20,24H,4,7-17H2/t19-/m0/s1
InChIKeyABWKGFSZELJQMY-IBGZPJMESA-N
MW328.50 g/mol
LogP3.10
Rot. Bonds5

About 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol

3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol (PubChem CID 97202997) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol
PubChem CID97202997
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol
SMILESOCCCN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2
InChIInChI=1S/C21H32N2O/c24-14-4-11-22-12-9-21(10-13-22)15-19(18-5-2-1-3-6-18)16-23(17-21)20-7-8-20/h1-3,5-6,19-20,24H,4,7-17H2/t19-/m0/s1
InChIKeyABWKGFSZELJQMY-IBGZPJMESA-N
XLogP3.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol with MolForge

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Related Compounds

3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
CID 97199559
(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97190011
2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
CID 72841925
1-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(dimethylamino)ethanone
CID 97202268
5-[[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 97270180
(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97208828
3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
CID 72841457
1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
CID 97208119
[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97200921
2-cyclopropyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72876917
4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine
CID 97202620
N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide
CID 72891317

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol?
The IUPAC name of 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol (CID 97202997) is 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol.
What is the SMILES notation for 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol?
The canonical SMILES for 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol is OCCCN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2.
What is the InChIKey of 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol?
The InChIKey is ABWKGFSZELJQMY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32N2O/c24-14-4-11-22-12-9-21(10-13-22)15-19(18-5-2-1-3-6-18)16-23(17-21)20-7-8-20/h1-3,5-6,19-20,24H,4,7-17H2/t19-/m0/s1.
What are the key properties of 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol?
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol has a molecular weight of 328.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol is sourced from PubChem (CID 97202997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).