(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol

C15H23NO — CID 23249780

IUPAC(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCC(C)[C@@H]([C@H](O)c1ccccc1)N1CCCC1
InChIInChI=1S/C15H23NO/c1-12(2)14(16-10-6-7-11-16)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14-15,17H,6-7,10-11H2,1-2H3/t14-,15+/m0/s1
InChIKeySVGCFKGKZYQCDP-LSDHHAIUSA-N
MW233.36 g/mol
LogP2.84
Rot. Bonds4

About (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol

(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 23249780) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID23249780
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCC(C)[C@@H]([C@H](O)c1ccccc1)N1CCCC1
InChIInChI=1S/C15H23NO/c1-12(2)14(16-10-6-7-11-16)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14-15,17H,6-7,10-11H2,1-2H3/t14-,15+/m0/s1
InChIKeySVGCFKGKZYQCDP-LSDHHAIUSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol
CID 102966104
(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutane-1-thiol
CID 23249782
(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
CID 15065412
(1R,2S)-1,2-diphenyl-2-piperidin-1-ylethanol
CID 23251237
2-(azepan-1-yl)-N-ethyl-3-methyl-1-phenylbutan-1-amine
CID 63466911
1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine
CID 59470641
(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 10399733
(1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 156874696
3-methyl-2-(1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 62987642
(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
CID 10637492
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenylethanol
CID 4019753

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol (CID 23249780) is (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol is CC(C)[C@@H]([C@H](O)c1ccccc1)N1CCCC1.
What is the InChIKey of (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is SVGCFKGKZYQCDP-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)14(16-10-6-7-11-16)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14-15,17H,6-7,10-11H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol?
(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 23249780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).