2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride

C12H18ClNO — CID 70255948

IUPAC2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride
SMILESCl.OC(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C12H17NO.ClH/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11;/h1-3,6-7,12,14H,4-5,8-10H2;1H
InChIKeyFHBFEDGWINTSFF-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.07
Rot. Bonds3

About 2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride

2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride (PubChem CID 70255948) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride
PubChem CID70255948
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride
SMILESCl.OC(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C12H17NO.ClH/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11;/h1-3,6-7,12,14H,4-5,8-10H2;1H
InChIKeyFHBFEDGWINTSFF-UHFFFAOYSA-N
XLogP2.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-phenylethanol
CID 173220641
(3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol
CID 142207135
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
1,1,3-triphenyl-2-piperidin-1-ylpropan-1-ol
CID 23250666
1-(azepan-1-yl)-2-phenoxyethanol
CID 70421619
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
1-(1,4-diphenylbut-3-yn-2-yl)pyrrolidine
CID 100954727
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol
CID 143402490
(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 92573641
5-chloro-6-[(2S)-4-hydroxy-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1,3-dihydrobenzimidazol-2-one
CID 67714293
1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol
CID 67938820

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride?
The IUPAC name of 2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride (CID 70255948) is 2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride.
What is the SMILES notation for 2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride?
The canonical SMILES for 2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride is Cl.OC(Cc1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride?
The InChIKey is FHBFEDGWINTSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11;/h1-3,6-7,12,14H,4-5,8-10H2;1H.
What are the key properties of 2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride?
2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride is sourced from PubChem (CID 70255948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).