1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol

C17H24N4O — CID 131914653

IUPAC1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol
SMILESCc1nnc(NCCCN2CCCC(O)C2)c2ccccc12
InChIInChI=1S/C17H24N4O/c1-13-15-7-2-3-8-16(15)17(20-19-13)18-9-5-11-21-10-4-6-14(22)12-21/h2-3,7-8,14,22H,4-6,9-12H2,1H3,(H,18,20)
InChIKeyVUIQSRBBYKGSFE-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.20
Rot. Bonds5

About 1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol

1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol (PubChem CID 131914653) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol
PubChem CID131914653
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol
SMILESCc1nnc(NCCCN2CCCC(O)C2)c2ccccc12
InChIInChI=1S/C17H24N4O/c1-13-15-7-2-3-8-16(15)17(20-19-13)18-9-5-11-21-10-4-6-14(22)12-21/h2-3,7-8,14,22H,4-6,9-12H2,1H3,(H,18,20)
InChIKeyVUIQSRBBYKGSFE-UHFFFAOYSA-N
XLogP2.20
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
CID 60659900
5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol
CID 107269340
4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine
CID 125438915
N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine
CID 103603387
(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
CID 97189429
N-hexyl-4-methylphthalazin-1-amine
CID 60642126
6-[3-(3-hydroxypiperidin-1-yl)propylamino]pyridine-3-carboxamide
CID 131915518
N-(6-chlorohexyl)-4-methylphthalazin-1-amine
CID 107846136
4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine
CID 63541033
4-methyl-N-(5-methylsulfanylpentyl)phthalazin-1-amine
CID 104925473
5,6-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)pyridazine-4-carbothioamide
CID 62993232
N-ethyl-4-methylphthalazin-1-amine
CID 43395120

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol?
The IUPAC name of 1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol (CID 131914653) is 1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol is Cc1nnc(NCCCN2CCCC(O)C2)c2ccccc12.
What is the InChIKey of 1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol?
The InChIKey is VUIQSRBBYKGSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-15-7-2-3-8-16(15)17(20-19-13)18-9-5-11-21-10-4-6-14(22)12-21/h2-3,7-8,14,22H,4-6,9-12H2,1H3,(H,18,20).
What are the key properties of 1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol?
1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol has a molecular weight of 300.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol is sourced from PubChem (CID 131914653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).