1-[(1S)-1-phenylethyl]pyrrolidin-3-ol

C12H17NO — CID 69382807

IUPAC1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
SMILESC[C@@H](c1ccccc1)N1CCC(O)C1
InChIInChI=1S/C12H17NO/c1-10(11-5-3-2-4-6-11)13-8-7-12(14)9-13/h2-6,10,12,14H,7-9H2,1H3/t10-,12?/m0/s1
InChIKeyARHYUWGDEZKQHN-NUHJPDEHSA-N
MW191.27 g/mol
LogP1.81
Rot. Bonds2

About 1-[(1S)-1-phenylethyl]pyrrolidin-3-ol

1-[(1S)-1-phenylethyl]pyrrolidin-3-ol (PubChem CID 69382807) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
PubChem CID69382807
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
SMILESC[C@@H](c1ccccc1)N1CCC(O)C1
InChIInChI=1S/C12H17NO/c1-10(11-5-3-2-4-6-11)13-8-7-12(14)9-13/h2-6,10,12,14H,7-9H2,1H3/t10-,12?/m0/s1
InChIKeyARHYUWGDEZKQHN-NUHJPDEHSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
CID 126787911
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one
CID 70896720
(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
CID 111333775
1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylbutan-2-one
CID 163432862
cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
CID 22633923
(3S)-1-(1-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 71301760
(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol
CID 86329912
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
(NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine
CID 87377197
2-[(3R,4S)-3-hydroxy-1-(1-phenylethyl)piperidin-4-yl]acetonitrile
CID 134280560

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(1S)-1-phenylethyl]pyrrolidin-3-ol (CID 69382807) is 1-[(1S)-1-phenylethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1S)-1-phenylethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(1S)-1-phenylethyl]pyrrolidin-3-ol is C[C@@H](c1ccccc1)N1CCC(O)C1.
What is the InChIKey of 1-[(1S)-1-phenylethyl]pyrrolidin-3-ol?
The InChIKey is ARHYUWGDEZKQHN-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(11-5-3-2-4-6-11)13-8-7-12(14)9-13/h2-6,10,12,14H,7-9H2,1H3/t10-,12?/m0/s1.
What are the key properties of 1-[(1S)-1-phenylethyl]pyrrolidin-3-ol?
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol has a molecular weight of 191.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethyl]pyrrolidin-3-ol is sourced from PubChem (CID 69382807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).