7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride

C33H36Cl2N4O2 — CID 69214957

IUPAC7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride
SMILESCOc1ccc(-c2nnc(NC3CCN(C(C)c4ccc5ccccc5c4)CC3)c3cc(OC)ccc23)cc1.Cl.Cl
InChIInChI=1S/C33H34N4O2.2ClH/c1-22(25-9-8-23-6-4-5-7-26(23)20-25)37-18-16-27(17-19-37)34-33-31-21-29(39-3)14-15-30(31)32(35-36-33)24-10-12-28(38-2)13-11-24;;/h4-15,20-22,27H,16-19H2,1-3H3,(H,34,36);2*1H
InChIKeyDZXYIIGGNANUQY-UHFFFAOYSA-N
MW591.58 g/mol
LogP7.95
Rot. Bonds7

About 7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride

7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride (PubChem CID 69214957) has the molecular formula C33H36Cl2N4O2 and a molecular weight of 591.58 g/mol. Its IUPAC name is 7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride.

Molecular Properties

Compound Name7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride
PubChem CID69214957
Molecular FormulaC33H36Cl2N4O2
Molecular Weight591.58 g/mol
Exact Mass590.22
IUPAC Name7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride
SMILESCOc1ccc(-c2nnc(NC3CCN(C(C)c4ccc5ccccc5c4)CC3)c3cc(OC)ccc23)cc1.Cl.Cl
InChIInChI=1S/C33H34N4O2.2ClH/c1-22(25-9-8-23-6-4-5-7-26(23)20-25)37-18-16-27(17-19-37)34-33-31-21-29(39-3)14-15-30(31)32(35-36-33)24-10-12-28(38-2)13-11-24;;/h4-15,20-22,27H,16-19H2,1-3H3,(H,34,36);2*1H
InChIKeyDZXYIIGGNANUQY-UHFFFAOYSA-N
XLogP7.95
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.58
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-(4-phenylphenyl)phthalazin-1-amine;dihydrochloride
CID 69209038
7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
CID 69210826
4-(4-fluorophenyl)-7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
CID 69211505
7-methoxy-4-(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phthalazin-1-amine
CID 69213049
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 69209047
7-methoxy-4-(4-methoxyphenyl)-N-[8-(naphthalen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phthalazin-1-amine
CID 69209471
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-(4-methoxyphenyl)phthalazin-1-amine;dihydrochloride
CID 69214026
7-methoxy-4-(4-methoxyphenyl)-N-[1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]piperidin-4-yl]phthalazin-1-amine;trihydrochloride
CID 68922149
N-[1-[[4-(2-aminopropan-2-yl)phenyl]methyl]piperidin-4-yl]-7-methoxy-4-(4-methoxyphenyl)phthalazin-1-amine
CID 69211571
N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride
CID 69213082
7-methoxy-4-(4-methoxyphenyl)-N-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]phthalazin-1-amine;trihydrochloride
CID 68918799
N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922301

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride?
The IUPAC name of 7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride (CID 69214957) is 7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride.
What is the SMILES notation for 7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride?
The canonical SMILES for 7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride is COc1ccc(-c2nnc(NC3CCN(C(C)c4ccc5ccccc5c4)CC3)c3cc(OC)ccc23)cc1.Cl.Cl.
What is the InChIKey of 7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride?
The InChIKey is DZXYIIGGNANUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O2.2ClH/c1-22(25-9-8-23-6-4-5-7-26(23)20-25)37-18-16-27(17-19-37)34-33-31-21-29(39-3)14-15-30(31)32(35-36-33)24-10-12-28(38-2)13-11-24;;/h4-15,20-22,27H,16-19H2,1-3H3,(H,34,36);2*1H.
What are the key properties of 7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride?
7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride has a molecular weight of 591.58 g/mol, XLogP of 7.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride is sourced from PubChem (CID 69214957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).