N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine

C15H17ClN4 — CID 169001693

IUPACN-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine
SMILESClc1cc(-c2ccc(NC3CCNCC3)cc2)cnn1
InChIInChI=1S/C15H17ClN4/c16-15-9-12(10-18-20-15)11-1-3-13(4-2-11)19-14-5-7-17-8-6-14/h1-4,9-10,14,17,19H,5-8H2
InChIKeyBEPYJZJFKVRDBE-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.96
Rot. Bonds3

About N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine

N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine (PubChem CID 169001693) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine
PubChem CID169001693
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC NameN-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine
SMILESClc1cc(-c2ccc(NC3CCNCC3)cc2)cnn1
InChIInChI=1S/C15H17ClN4/c16-15-9-12(10-18-20-15)11-1-3-13(4-2-11)19-14-5-7-17-8-6-14/h1-4,9-10,14,17,19H,5-8H2
InChIKeyBEPYJZJFKVRDBE-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine
CID 89025318
N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine
CID 58576442
6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine
CID 115035891
1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol
CID 86724904
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidin-4-amine
CID 54902966
4-(azepan-4-ylamino)-2-chlorobenzamide
CID 103981405
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine
CID 71251070
3,5-dichloro-N-piperidin-4-ylpyridin-4-amine
CID 134359724
6-chloro-2-N-piperidin-4-ylpyridine-2,3-diamine
CID 123942355
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
CID 43455238

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine (CID 169001693) is N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine is Clc1cc(-c2ccc(NC3CCNCC3)cc2)cnn1.
What is the InChIKey of N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine?
The InChIKey is BEPYJZJFKVRDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-15-9-12(10-18-20-15)11-1-3-13(4-2-11)19-14-5-7-17-8-6-14/h1-4,9-10,14,17,19H,5-8H2.
What are the key properties of N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine?
N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine has a molecular weight of 288.78 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloropyridazin-4-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 169001693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).