3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine

C23H33N5 — CID 58006735

IUPAC3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
SMILESCC(C)N1CCN(c2ccc(-c3ccc(CN4CCCCC4)cc3)nn2)CC1
InChIInChI=1S/C23H33N5/c1-19(2)27-14-16-28(17-15-27)23-11-10-22(24-25-23)21-8-6-20(7-9-21)18-26-12-4-3-5-13-26/h6-11,19H,3-5,12-18H2,1-2H3
InChIKeyBDSPLJGRPMHTOH-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.66
Rot. Bonds5

About 3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine

3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine (PubChem CID 58006735) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is 3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
PubChem CID58006735
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC Name3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
SMILESCC(C)N1CCN(c2ccc(-c3ccc(CN4CCCCC4)cc3)nn2)CC1
InChIInChI=1S/C23H33N5/c1-19(2)27-14-16-28(17-15-27)23-11-10-22(24-25-23)21-8-6-20(7-9-21)18-26-12-4-3-5-13-26/h6-11,19H,3-5,12-18H2,1-2H3
InChIKeyBDSPLJGRPMHTOH-UHFFFAOYSA-N
XLogP3.66
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
CID 6404568
6-(4-Methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
CID 59867414
CID 46891461
CID 46891461
(3H)A-585539
CID 23643135
N,N-Dimethyl-6-phenyl-3-pyridazinamine
CID 645991
[2-(1-Benzyl-piperidin-4-yl)-ethyl]-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
CID 10067904
3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine
CID 10354969
N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
CID 10713570
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-methyl-6-phenylpyridazin-3-amine
CID 11058147
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-isopropyl-6-phenylpyridazin-3-amine
CID 11825837
(1S,4S)-2-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462088
(1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462089

Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine (CID 58006735) is 3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine is CC(C)N1CCN(c2ccc(-c3ccc(CN4CCCCC4)cc3)nn2)CC1.
What is the InChIKey of 3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is BDSPLJGRPMHTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-19(2)27-14-16-28(17-15-27)23-11-10-22(24-25-23)21-8-6-20(7-9-21)18-26-12-4-3-5-13-26/h6-11,19H,3-5,12-18H2,1-2H3.
What are the key properties of 3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine?
3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 379.55 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 58006735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).