(3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine

C20H21ClN4 — CID 134471428

IUPAC(3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine
SMILESCN[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1
InChIInChI=1S/C20H21ClN4/c1-22-16-5-4-12-25(13-16)20-18-7-3-2-6-17(18)19(23-24-20)14-8-10-15(21)11-9-14/h2-3,6-11,16,22H,4-5,12-13H2,1H3/t16-/m1/s1
InChIKeyDNCYYCVGTVZPDQ-MRXNPFEDSA-N
MW352.87 g/mol
LogP4.14
Rot. Bonds3

About (3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine

(3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine (PubChem CID 134471428) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is (3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine
PubChem CID134471428
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name(3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine
SMILESCN[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1
InChIInChI=1S/C20H21ClN4/c1-22-16-5-4-12-25(13-16)20-18-7-3-2-6-17(18)19(23-24-20)14-8-10-15(21)11-9-14/h2-3,6-11,16,22H,4-5,12-13H2,1H3/t16-/m1/s1
InChIKeyDNCYYCVGTVZPDQ-MRXNPFEDSA-N
XLogP4.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine?
The IUPAC name of (3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine (CID 134471428) is (3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine?
The canonical SMILES for (3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine is CN[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1.
What is the InChIKey of (3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine?
The InChIKey is DNCYYCVGTVZPDQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-22-16-5-4-12-25(13-16)20-18-7-3-2-6-17(18)19(23-24-20)14-8-10-15(21)11-9-14/h2-3,6-11,16,22H,4-5,12-13H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine?
(3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine has a molecular weight of 352.87 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 134471428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).