5-(4-benzylpiperidin-1-yl)-3-chloropyridazine

C16H18ClN3 — CID 114478453

IUPAC5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
SMILESClc1cc(N2CCC(Cc3ccccc3)CC2)cnn1
InChIInChI=1S/C16H18ClN3/c17-16-11-15(12-18-19-16)20-8-6-14(7-9-20)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2
InChIKeyPOSZQDDBTIDUOP-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.59
Rot. Bonds3

About 5-(4-benzylpiperidin-1-yl)-3-chloropyridazine

5-(4-benzylpiperidin-1-yl)-3-chloropyridazine (PubChem CID 114478453) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-3-chloropyridazine.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
PubChem CID114478453
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
SMILESClc1cc(N2CCC(Cc3ccccc3)CC2)cnn1
InChIInChI=1S/C16H18ClN3/c17-16-11-15(12-18-19-16)20-8-6-14(7-9-20)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2
InChIKeyPOSZQDDBTIDUOP-UHFFFAOYSA-N
XLogP3.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
6-(4-benzylpiperidin-1-yl)-2-chloroquinoline
CID 25139391
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine
CID 115473666
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
2-(3-benzylpyrrolidin-1-yl)-1,3,4-thiadiazole
CID 167745767
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799
5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950640
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
2-(4-benzylpiperidin-1-yl)-3-chloroaniline
CID 43346324

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-3-chloropyridazine?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-3-chloropyridazine (CID 114478453) is 5-(4-benzylpiperidin-1-yl)-3-chloropyridazine.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-3-chloropyridazine?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-3-chloropyridazine is Clc1cc(N2CCC(Cc3ccccc3)CC2)cnn1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-3-chloropyridazine?
The InChIKey is POSZQDDBTIDUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-16-11-15(12-18-19-16)20-8-6-14(7-9-20)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-3-chloropyridazine?
5-(4-benzylpiperidin-1-yl)-3-chloropyridazine has a molecular weight of 287.79 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-3-chloropyridazine is sourced from PubChem (CID 114478453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).