1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol

C15H23NO2 — CID 114066937

IUPAC1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCC(C)C2CO)cc1
InChIInChI=1S/C15H23NO2/c1-3-15(18)12-4-6-13(7-5-12)16-9-8-11(2)14(16)10-17/h4-7,11,14-15,17-18H,3,8-10H2,1-2H3
InChIKeyPLXCOQARVHVUOQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.34
Rot. Bonds4

About 1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol

1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol (PubChem CID 114066937) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol
PubChem CID114066937
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCC(C)C2CO)cc1
InChIInChI=1S/C15H23NO2/c1-3-15(18)12-4-6-13(7-5-12)16-9-8-11(2)14(16)10-17/h4-7,11,14-15,17-18H,3,8-10H2,1-2H3
InChIKeyPLXCOQARVHVUOQ-UHFFFAOYSA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782294
(1R)-1-[5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 102782283
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanone
CID 102781685
1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol
CID 114066923
1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782260
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one
CID 114066855
[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435
1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol
CID 102782297
[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777483
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide
CID 102781467

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol (CID 114066937) is 1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol is CCC(O)c1ccc(N2CCC(C)C2CO)cc1.
What is the InChIKey of 1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol?
The InChIKey is PLXCOQARVHVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(18)12-4-6-13(7-5-12)16-9-8-11(2)14(16)10-17/h4-7,11,14-15,17-18H,3,8-10H2,1-2H3.
What are the key properties of 1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol?
1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol is sourced from PubChem (CID 114066937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).