[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol

C13H20N2O — CID 63164119

IUPAC[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
SMILESCN(C)C1CCN(c2ccc(CO)cc2)C1
InChIInChI=1S/C13H20N2O/c1-14(2)13-7-8-15(9-13)12-5-3-11(10-16)4-6-12/h3-6,13,16H,7-10H2,1-2H3
InChIKeyOWRJIQQKBIZUBS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.32
Rot. Bonds3

About [4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol

[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol (PubChem CID 63164119) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
PubChem CID63164119
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
SMILESCN(C)C1CCN(c2ccc(CO)cc2)C1
InChIInChI=1S/C13H20N2O/c1-14(2)13-7-8-15(9-13)12-5-3-11(10-16)4-6-12/h3-6,13,16H,7-10H2,1-2H3
InChIKeyOWRJIQQKBIZUBS-UHFFFAOYSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
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

[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
CID 68574706
1-[4-(chloromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586241
[4-(4-aminopiperidin-1-yl)phenyl]methanol
CID 124707256
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
[4-(4-methylazepan-1-yl)phenyl]methanol
CID 63622804
[4-(3-bromopiperidin-1-yl)phenyl]methanol
CID 66778806
2-[[1-(4-ethylphenyl)pyrrolidin-3-yl]-methylamino]acetic acid
CID 117004246
(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine
CID 141145994
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
(4-thiomorpholin-4-ylphenyl)methanol
CID 20684072
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol
CID 79603845
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 113419808

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol?
The IUPAC name of [4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol (CID 63164119) is [4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol?
The canonical SMILES for [4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol is CN(C)C1CCN(c2ccc(CO)cc2)C1.
What is the InChIKey of [4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol?
The InChIKey is OWRJIQQKBIZUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14(2)13-7-8-15(9-13)12-5-3-11(10-16)4-6-12/h3-6,13,16H,7-10H2,1-2H3.
What are the key properties of [4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol?
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol is sourced from PubChem (CID 63164119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).