2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol

C14H17N3O — CID 114799546

IUPAC2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
SMILESOCCC1CCN(c2nncc3ccccc23)C1
InChIInChI=1S/C14H17N3O/c18-8-6-11-5-7-17(10-11)14-13-4-2-1-3-12(13)9-15-16-14/h1-4,9,11,18H,5-8,10H2
InChIKeySQCSCTBBRBZNNW-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds3

About 2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol

2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol (PubChem CID 114799546) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
PubChem CID114799546
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
SMILESOCCC1CCN(c2nncc3ccccc23)C1
InChIInChI=1S/C14H17N3O/c18-8-6-11-5-7-17(10-11)14-13-4-2-1-3-12(13)9-15-16-14/h1-4,9,11,18H,5-8,10H2
InChIKeySQCSCTBBRBZNNW-UHFFFAOYSA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride
CID 140971986
2-(1-phthalazin-1-ylpiperidin-4-yl)ethanamine
CID 62587804
3-(1-phthalazin-1-ylpiperidin-4-yl)propanoic acid
CID 62216981
1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 112627869
1-(4-chloropiperidin-1-yl)phthalazine
CID 63388772
2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol
CID 115733660
1-[4-(2-bromoethoxy)piperidin-1-yl]phthalazine
CID 82701523
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944881
1-(4-piperidin-1-ylpiperidin-1-yl)phthalazine
CID 155230081
(2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine
CID 164632113
[1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol
CID 64599052
ethyl 1-phthalazin-1-ylpiperidine-3-carboxylate
CID 60631772

Frequently Asked Questions

What is the IUPAC name of 2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol (CID 114799546) is 2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol is OCCC1CCN(c2nncc3ccccc23)C1.
What is the InChIKey of 2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol?
The InChIKey is SQCSCTBBRBZNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-8-6-11-5-7-17(10-11)14-13-4-2-1-3-12(13)9-15-16-14/h1-4,9,11,18H,5-8,10H2.
What are the key properties of 2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol?
2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol has a molecular weight of 243.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 114799546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).