(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride

C13H20ClNO — CID 70252131

IUPAC(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride
SMILESC[C@@H]([C@H](O)c1ccccc1)N1CCCC1.Cl
InChIInChI=1S/C13H19NO.ClH/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;1H/t11-,13-;/m0./s1
InChIKeyPMKBLGNPWCWAAH-JZKFLRDJSA-N
MW241.76 g/mol
LogP2.63
Rot. Bonds3

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

(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 70252131) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride
PubChem CID70252131
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride
SMILESC[C@@H]([C@H](O)c1ccccc1)N1CCCC1.Cl
InChIInChI=1S/C13H19NO.ClH/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;1H/t11-,13-;/m0./s1
InChIKeyPMKBLGNPWCWAAH-JZKFLRDJSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride (CID 70252131) is (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride is C[C@@H]([C@H](O)c1ccccc1)N1CCCC1.Cl.
What is the InChIKey of (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is PMKBLGNPWCWAAH-JZKFLRDJSA-N. The full InChI is InChI=1S/C13H19NO.ClH/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;1H/t11-,13-;/m0./s1.
What are the key properties of (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride?
(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 70252131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).