1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol

C14H17N3O — CID 112627869

IUPAC1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
SMILESCC(O)C1CCN(c2nncc3ccccc23)C1
InChIInChI=1S/C14H17N3O/c1-10(18)12-6-7-17(9-12)14-13-5-3-2-4-11(13)8-15-16-14/h2-5,8,10,12,18H,6-7,9H2,1H3
InChIKeyDPBZNCKIJUXQJQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds2

About 1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol

1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol (PubChem CID 112627869) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
PubChem CID112627869
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
SMILESCC(O)C1CCN(c2nncc3ccccc23)C1
InChIInChI=1S/C14H17N3O/c1-10(18)12-6-7-17(9-12)14-13-5-3-2-4-11(13)8-15-16-14/h2-5,8,10,12,18H,6-7,9H2,1H3
InChIKeyDPBZNCKIJUXQJQ-UHFFFAOYSA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 114799546
1-(4-chloropiperidin-1-yl)phthalazine
CID 63388772
(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride
CID 140971986
ethyl 1-phthalazin-1-ylpiperidine-3-carboxylate
CID 60631772
1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine
CID 155230081
2-(1-phthalazin-1-ylpiperidin-4-yl)ethanamine
CID 62587804
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133463671
1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol
CID 115965646
(3S,4S)-4-methyl-1-phthalazin-1-ylpyrrolidine-3-carboxylic acid
CID 114085555
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
3-(1-phthalazin-1-ylpiperidin-4-yl)propanoic acid
CID 62216981
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]isoquinolin-7-ol
CID 106541564

Frequently Asked Questions

What is the IUPAC name of 1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol?
The IUPAC name of 1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol (CID 112627869) is 1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol is CC(O)C1CCN(c2nncc3ccccc23)C1.
What is the InChIKey of 1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol?
The InChIKey is DPBZNCKIJUXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(18)12-6-7-17(9-12)14-13-5-3-2-4-11(13)8-15-16-14/h2-5,8,10,12,18H,6-7,9H2,1H3.
What are the key properties of 1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol?
1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol has a molecular weight of 243.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 112627869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).