3-benzylpyrrolidin-3-ol;hydrochloride

C11H16ClNO — CID 122508012

IUPAC3-benzylpyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(Cc2ccccc2)CCNC1
InChIInChI=1S/C11H15NO.ClH/c13-11(6-7-12-9-11)8-10-4-2-1-3-5-10;/h1-5,12-13H,6-9H2;1H
InChIKeyBBZCWVRMBHSKAA-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.38
Rot. Bonds2

About 3-benzylpyrrolidin-3-ol;hydrochloride

3-benzylpyrrolidin-3-ol;hydrochloride (PubChem CID 122508012) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-benzylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-benzylpyrrolidin-3-ol;hydrochloride
PubChem CID122508012
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-benzylpyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(Cc2ccccc2)CCNC1
InChIInChI=1S/C11H15NO.ClH/c13-11(6-7-12-9-11)8-10-4-2-1-3-5-10;/h1-5,12-13H,6-9H2;1H
InChIKeyBBZCWVRMBHSKAA-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4-Fluorophenyl)pyrrolidin-3-ol hydrochloride
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3-Phenylpyrrolidin-3-ol hydrochloride
CID 200280
1-(Methylamino)-3-phenylpropan-2-ol
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2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, hydrochloride
CID 204385
alpha-[[(1-Methylethyl)amino]methyl]benzeneethanol
CID 29545
(3S,5R)-5-[1-hydroxy-2-(4-octylphenyl)ethyl]pyrrolidin-3-ol;hydrochloride
CID 145982131
(3R,5S)-5-[1-hydroxy-2-(4-octylphenyl)ethyl]pyrrolidin-3-ol;hydrochloride
CID 145992927
3-Phenylpyrrolidin-3-ol
CID 200281
3-(4-(Trifluoromethyl)phenyl)pyrrolidin-3-ol hydrochloride
CID 120895
3-(4-Methylphenyl)pyrrolidin-3-ol hydrochloride
CID 3051402
1-(Dimethylamino)-3-phenylpentan-3-ol--hydrogen chloride (1/1)
CID 25661

Frequently Asked Questions

What is the IUPAC name of 3-benzylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-benzylpyrrolidin-3-ol;hydrochloride (CID 122508012) is 3-benzylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-benzylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-benzylpyrrolidin-3-ol;hydrochloride is Cl.OC1(Cc2ccccc2)CCNC1.
What is the InChIKey of 3-benzylpyrrolidin-3-ol;hydrochloride?
The InChIKey is BBZCWVRMBHSKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c13-11(6-7-12-9-11)8-10-4-2-1-3-5-10;/h1-5,12-13H,6-9H2;1H.
What are the key properties of 3-benzylpyrrolidin-3-ol;hydrochloride?
3-benzylpyrrolidin-3-ol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 122508012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).