(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol

C13H19NO — CID 124705714

IUPAC(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
SMILESCC[C@@](O)(c1ccccc1)[C@@H]1CCNC1
InChIInChI=1S/C13H19NO/c1-2-13(15,12-8-9-14-10-12)11-6-4-3-5-7-11/h3-7,12,14-15H,2,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyDIAVOCCGZXPLMO-CHWSQXEVSA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds3

About (1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol

(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol (PubChem CID 124705714) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
PubChem CID124705714
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
SMILESCC[C@@](O)(c1ccccc1)[C@@H]1CCNC1
InChIInChI=1S/C13H19NO/c1-2-13(15,12-8-9-14-10-12)11-6-4-3-5-7-11/h3-7,12,14-15H,2,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyDIAVOCCGZXPLMO-CHWSQXEVSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 125492642
1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol
CID 558630
1,2-diphenyl-1-piperidin-3-ylethanol
CID 24842706
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 155010547
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 138485227
1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
CID 105457980
2-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-one
CID 69378819
3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine
CID 147466437
1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol
CID 143839334
tert-butyl-[diphenyl(pyrrolidin-3-yl)methoxy]silane
CID 154194417
3-(1-hydroxy-1-pyrrolidin-3-ylethyl)benzoic acid
CID 115040778

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol?
The IUPAC name of (1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol (CID 124705714) is (1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol?
The canonical SMILES for (1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol is CC[C@@](O)(c1ccccc1)[C@@H]1CCNC1.
What is the InChIKey of (1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol?
The InChIKey is DIAVOCCGZXPLMO-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-13(15,12-8-9-14-10-12)11-6-4-3-5-7-11/h3-7,12,14-15H,2,8-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol?
(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol is sourced from PubChem (CID 124705714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).