[4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol

C29H33N3O3 — CID 141126306

IUPAC[4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol
SMILESCOc1ccc(C2=NN(C3CCN(Cc4ccc(CO)cc4)CC3)Cc3cc(OC)ccc32)cc1
InChIInChI=1S/C29H33N3O3/c1-34-26-9-7-23(8-10-26)29-28-12-11-27(35-2)17-24(28)19-32(30-29)25-13-15-31(16-14-25)18-21-3-5-22(20-33)6-4-21/h3-12,17,25,33H,13-16,18-20H2,1-2H3
InChIKeyKARXYMOMJNRPJR-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.43
Rot. Bonds7

About [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol

[4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 141126306) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol
PubChem CID141126306
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name[4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol
SMILESCOc1ccc(C2=NN(C3CCN(Cc4ccc(CO)cc4)CC3)Cc3cc(OC)ccc32)cc1
InChIInChI=1S/C29H33N3O3/c1-34-26-9-7-23(8-10-26)29-28-12-11-27(35-2)17-24(28)19-32(30-29)25-13-15-31(16-14-25)18-21-3-5-22(20-33)6-4-21/h3-12,17,25,33H,13-16,18-20H2,1-2H3
InChIKeyKARXYMOMJNRPJR-UHFFFAOYSA-N
XLogP4.43
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

4-(3,5-dimethoxyphenyl)-7-methoxy-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-1H-phthalazine
CID 141126289
4-(2,4-dimethoxyphenyl)-7-methoxy-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-1H-phthalazine
CID 141126301
5,7-dimethoxy-4-(4-methoxyphenyl)-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-1H-phthalazine
CID 141126311
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol
CID 110008942
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
[1-[1-[(6-methoxynaphthalen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154888404
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
(4-methoxyphenyl)methanol
CID 7738
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylidene]hydroxylamine
CID 174370843

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol (CID 141126306) is [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol is COc1ccc(C2=NN(C3CCN(Cc4ccc(CO)cc4)CC3)Cc3cc(OC)ccc32)cc1.
What is the InChIKey of [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol?
The InChIKey is KARXYMOMJNRPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-34-26-9-7-23(8-10-26)29-28-12-11-27(35-2)17-24(28)19-32(30-29)25-13-15-31(16-14-25)18-21-3-5-22(20-33)6-4-21/h3-12,17,25,33H,13-16,18-20H2,1-2H3.
What are the key properties of [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol?
[4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 471.60 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[7-methoxy-4-(4-methoxyphenyl)-1H-phthalazin-2-yl]piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 141126306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).