1-butyl-3-phenylpyrrolidin-3-ol

C14H21NO — CID 154183596

IUPAC1-butyl-3-phenylpyrrolidin-3-ol
SMILESCCCCN1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-2-3-10-15-11-9-14(16,12-15)13-7-5-4-6-8-13/h4-8,16H,2-3,9-12H2,1H3
InChIKeyGYSRDCIEJGTUMT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.38
Rot. Bonds4

About 1-butyl-3-phenylpyrrolidin-3-ol

1-butyl-3-phenylpyrrolidin-3-ol (PubChem CID 154183596) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-butyl-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-butyl-3-phenylpyrrolidin-3-ol
PubChem CID154183596
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-butyl-3-phenylpyrrolidin-3-ol
SMILESCCCCN1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-2-3-10-15-11-9-14(16,12-15)13-7-5-4-6-8-13/h4-8,16H,2-3,9-12H2,1H3
InChIKeyGYSRDCIEJGTUMT-UHFFFAOYSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
1-(2-aminoethyl)-4-phenylpiperidin-4-ol
CID 15289503
1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
CID 67764311
methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
CID 122138914
1-butyl-4-(2,3-dichlorophenyl)piperidin-4-ol
CID 68815496
(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol
CID 125492661
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 135101410
1-butyl-4-ethyl-4-phenyl-3-propylpiperidine
CID 54461245
3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine
CID 19079346
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-phenylpyrrolidin-3-ol?
The IUPAC name of 1-butyl-3-phenylpyrrolidin-3-ol (CID 154183596) is 1-butyl-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-butyl-3-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-butyl-3-phenylpyrrolidin-3-ol is CCCCN1CCC(O)(c2ccccc2)C1.
What is the InChIKey of 1-butyl-3-phenylpyrrolidin-3-ol?
The InChIKey is GYSRDCIEJGTUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-10-15-11-9-14(16,12-15)13-7-5-4-6-8-13/h4-8,16H,2-3,9-12H2,1H3.
What are the key properties of 1-butyl-3-phenylpyrrolidin-3-ol?
1-butyl-3-phenylpyrrolidin-3-ol has a molecular weight of 219.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 154183596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).