1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol

C15H23NO — CID 114066889

IUPAC1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCC(C)(C)C2)cc1
InChIInChI=1S/C15H23NO/c1-4-14(17)12-5-7-13(8-6-12)16-10-9-15(2,3)11-16/h5-8,14,17H,4,9-11H2,1-3H3
InChIKeyJXJHMMGLPIHWHO-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.37
Rot. Bonds3

About 1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol

1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol (PubChem CID 114066889) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol
PubChem CID114066889
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCC(C)(C)C2)cc1
InChIInChI=1S/C15H23NO/c1-4-14(17)12-5-7-13(8-6-12)16-10-9-15(2,3)11-16/h5-8,14,17H,4,9-11H2,1-3H3
InChIKeyJXJHMMGLPIHWHO-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356747
1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol
CID 114066923
4-(3,3-dimethylpyrrolidin-1-yl)pyridine
CID 67580177
1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584521
2-[3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013155
4-(3,3-dimethylpiperidin-1-yl)phenol
CID 11217983
N-[1-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 62936571
1-[4-[(1S)-1-aminoethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356537
1-(4-ethylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 117011718
4-(4,4-dimethylpiperidin-1-yl)benzoic acid
CID 11535980
(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine
CID 165032426
4-(4,4-dimethylpiperidin-1-yl)benzoic acid;ethane
CID 143852634

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol?
The IUPAC name of 1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol (CID 114066889) is 1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol?
The canonical SMILES for 1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol is CCC(O)c1ccc(N2CCC(C)(C)C2)cc1.
What is the InChIKey of 1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol?
The InChIKey is JXJHMMGLPIHWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14(17)12-5-7-13(8-6-12)16-10-9-15(2,3)11-16/h5-8,14,17H,4,9-11H2,1-3H3.
What are the key properties of 1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol?
1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 114066889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).