(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol

C13H19NO — CID 11830572

IUPAC(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESC[C@H]([C@H](O)c1ccccc1)N1CCCC1
InChIInChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyFZVHJGJBJLFWEX-YPMHNXCESA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds3

About (1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol

(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 11830572) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID11830572
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESC[C@H]([C@H](O)c1ccccc1)N1CCCC1
InChIInChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyFZVHJGJBJLFWEX-YPMHNXCESA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol
CID 23249780
2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol
CID 62992614
(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
CID 15065412
(1S,2R)-2-[(5R,6S)-2,2,3,3,5,6-hexadeuterio-4-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 101102848
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 15072780
(1R,2S)-1,2-diphenyl-2-piperidin-1-ylethanol
CID 23251237
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol
CID 79174920
methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 160837430
(3aR,6aS)-2-(1-hydroxy-1-phenylpropan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818667
(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 110184452

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of (1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol (CID 11830572) is (1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for (1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for (1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol is C[C@H]([C@H](O)c1ccccc1)N1CCCC1.
What is the InChIKey of (1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is FZVHJGJBJLFWEX-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 11830572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).