N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine

C27H34N4 — CID 10938587

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine
SMILESCc1cc(C)c(-c2ccc(NCCC3CCN(Cc4ccccc4)CC3)nn2)c(C)c1
InChIInChI=1S/C27H34N4/c1-20-17-21(2)27(22(3)18-20)25-9-10-26(30-29-25)28-14-11-23-12-15-31(16-13-23)19-24-7-5-4-6-8-24/h4-10,17-18,23H,11-16,19H2,1-3H3,(H,28,30)
InChIKeyBHRSKWREJWGODQ-UHFFFAOYSA-N
MW414.60 g/mol
LogP5.78
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine (PubChem CID 10938587) has the molecular formula C27H34N4 and a molecular weight of 414.60 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine
PubChem CID10938587
Molecular FormulaC27H34N4
Molecular Weight414.60 g/mol
Exact Mass414.28
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine
SMILESCc1cc(C)c(-c2ccc(NCCC3CCN(Cc4ccccc4)CC3)nn2)c(C)c1
InChIInChI=1S/C27H34N4/c1-20-17-21(2)27(22(3)18-20)25-9-10-26(30-29-25)28-14-11-23-12-15-31(16-13-23)19-24-7-5-4-6-8-24/h4-10,17-18,23H,11-16,19H2,1-3H3,(H,28,30)
InChIKeyBHRSKWREJWGODQ-UHFFFAOYSA-N
XLogP5.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 10949178
6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
CID 11026115
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-butyl-6-phenylpyridazin-3-amine
CID 59867385
3-[2-(1-benzylpiperidin-4-yl)ethylamino]-4,6-dimethyl-1H-indole-2-carboxylic acid
CID 151618191
N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine
CID 59867557
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 74227028
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline
CID 54330265
2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid
CID 68846400
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506217
3-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 11646798
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine (CID 10938587) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine is Cc1cc(C)c(-c2ccc(NCCC3CCN(Cc4ccccc4)CC3)nn2)c(C)c1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine?
The InChIKey is BHRSKWREJWGODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4/c1-20-17-21(2)27(22(3)18-20)25-9-10-26(30-29-25)28-14-11-23-12-15-31(16-13-23)19-24-7-5-4-6-8-24/h4-10,17-18,23H,11-16,19H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine has a molecular weight of 414.60 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine is sourced from PubChem (CID 10938587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).