3-(3-phenylpyrrolidin-1-yl)butan-2-ol

C14H21NO — CID 62133226

IUPAC3-(3-phenylpyrrolidin-1-yl)butan-2-ol
SMILESCC(O)C(C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-11(12(2)16)15-9-8-14(10-15)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3
InChIKeyDMPOFFSYQRVDDZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.25
Rot. Bonds3

About 3-(3-phenylpyrrolidin-1-yl)butan-2-ol

3-(3-phenylpyrrolidin-1-yl)butan-2-ol (PubChem CID 62133226) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3-phenylpyrrolidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-phenylpyrrolidin-1-yl)butan-2-ol
PubChem CID62133226
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(3-phenylpyrrolidin-1-yl)butan-2-ol
SMILESCC(O)C(C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-11(12(2)16)15-9-8-14(10-15)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3
InChIKeyDMPOFFSYQRVDDZ-UHFFFAOYSA-N
XLogP2.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
N-methyl-2-(3-phenylpyrrolidin-1-yl)pentan-3-amine
CID 62132289
2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 81012350
N,3-dimethyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 62412660
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
CID 142021655
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62413169
phenyl-(4-phenylpiperidin-1-yl)methanol
CID 57150184
3-phenyl-1-propan-2-ylazetidine
CID 23628

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpyrrolidin-1-yl)butan-2-ol?
The IUPAC name of 3-(3-phenylpyrrolidin-1-yl)butan-2-ol (CID 62133226) is 3-(3-phenylpyrrolidin-1-yl)butan-2-ol.
What is the SMILES notation for 3-(3-phenylpyrrolidin-1-yl)butan-2-ol?
The canonical SMILES for 3-(3-phenylpyrrolidin-1-yl)butan-2-ol is CC(O)C(C)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-(3-phenylpyrrolidin-1-yl)butan-2-ol?
The InChIKey is DMPOFFSYQRVDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(12(2)16)15-9-8-14(10-15)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3.
What are the key properties of 3-(3-phenylpyrrolidin-1-yl)butan-2-ol?
3-(3-phenylpyrrolidin-1-yl)butan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpyrrolidin-1-yl)butan-2-ol is sourced from PubChem (CID 62133226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).