(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride

C10H14ClNO — CID 162341594

IUPAC(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CNC[C@@H]1c1ccccc1
InChIInChI=1S/C10H13NO.ClH/c12-10-7-11-6-9(10)8-4-2-1-3-5-8;/h1-5,9-12H,6-7H2;1H/t9-,10+;/m1./s1
InChIKeyPXQNESYPIZUPHU-UXQCFNEQSA-N
MW199.68 g/mol
LogP1.16
Rot. Bonds1

About (3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride

(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride (PubChem CID 162341594) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
PubChem CID162341594
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CNC[C@@H]1c1ccccc1
InChIInChI=1S/C10H13NO.ClH/c12-10-7-11-6-9(10)8-4-2-1-3-5-8;/h1-5,9-12H,6-7H2;1H/t9-,10+;/m1./s1
InChIKeyPXQNESYPIZUPHU-UXQCFNEQSA-N
XLogP1.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
oxalic acid;bis((3S,4R)-4-phenylpyrrolidin-3-ol)
CID 86811208
(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol
CID 125117368
carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine
CID 161253408
1-(4-phenylpyrrolidin-3-yl)ethanol
CID 23009402
[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014533
(3S,4R)-4-phenylpyrrolidine-3-sulfonyl fluoride;hydrochloride
CID 170911583
(3R,4S)-3-ethyl-4-phenylpyrrolidine
CID 124705784
(3S,4R)-3-ethyl-4-phenylpyrrolidine
CID 124705552
2-(4-phenylpyrrolidin-3-yl)acetate
CID 71775839
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride (CID 162341594) is (3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride is Cl.O[C@H]1CNC[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride?
The InChIKey is PXQNESYPIZUPHU-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c12-10-7-11-6-9(10)8-4-2-1-3-5-8;/h1-5,9-12H,6-7H2;1H/t9-,10+;/m1./s1.
What are the key properties of (3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride?
(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 162341594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).