4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine

C13H21N3 — CID 166142491

IUPAC4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine
SMILESCC(C)C1CCN(Cc2ccnnc2)CC1
InChIInChI=1S/C13H21N3/c1-11(2)13-4-7-16(8-5-13)10-12-3-6-14-15-9-12/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3
InChIKeySIDZPOAILRKUJZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds3

About 4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine

4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine (PubChem CID 166142491) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine
PubChem CID166142491
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine
SMILESCC(C)C1CCN(Cc2ccnnc2)CC1
InChIInChI=1S/C13H21N3/c1-11(2)13-4-7-16(8-5-13)10-12-3-6-14-15-9-12/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3
InChIKeySIDZPOAILRKUJZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridin-2-amine
CID 104870271
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790
1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 163363652
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol
CID 103887255
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 112703461
4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine
CID 171431363
1-[[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methyl]-4-propan-2-ylpiperidine
CID 89411330
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 103496375
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylazepane
CID 79706574
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine?
The IUPAC name of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine (CID 166142491) is 4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine.
What is the SMILES notation for 4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine?
The canonical SMILES for 4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine is CC(C)C1CCN(Cc2ccnnc2)CC1.
What is the InChIKey of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine?
The InChIKey is SIDZPOAILRKUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(2)13-4-7-16(8-5-13)10-12-3-6-14-15-9-12/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3.
What are the key properties of 4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine?
4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine has a molecular weight of 219.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine is sourced from PubChem (CID 166142491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).