6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine

C16H20N4 — CID 116971112

IUPAC6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine
SMILESc1ccc(-c2ccc(NCC3CCCNC3)nn2)cc1
InChIInChI=1S/C16H20N4/c1-2-6-14(7-3-1)15-8-9-16(20-19-15)18-12-13-5-4-10-17-11-13/h1-3,6-9,13,17H,4-5,10-12H2,(H,18,20)
InChIKeyMPDUNJXJBUPCOR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.56
Rot. Bonds4

About 6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine

6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine (PubChem CID 116971112) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine
PubChem CID116971112
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine
SMILESc1ccc(-c2ccc(NCC3CCCNC3)nn2)cc1
InChIInChI=1S/C16H20N4/c1-2-6-14(7-3-1)15-8-9-16(20-19-15)18-12-13-5-4-10-17-11-13/h1-3,6-9,13,17H,4-5,10-12H2,(H,18,20)
InChIKeyMPDUNJXJBUPCOR-UHFFFAOYSA-N
XLogP2.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)-6-pyridin-2-ylpyridazin-3-amine
CID 116971115
6-cyclobutyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116971097
6-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 96586619
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 86318064
4-phenyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 63006481
N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine
CID 116971123
N-(2-piperidin-3-ylethyl)-6-propan-2-ylpyridazin-3-amine
CID 116972213
2-phenyl-5-[[(3S)-piperidin-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 97301374
6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 143575918
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960
2-N-methyl-3-N-[[(3S)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164709

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine?
The IUPAC name of 6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine (CID 116971112) is 6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine is c1ccc(-c2ccc(NCC3CCCNC3)nn2)cc1.
What is the InChIKey of 6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine?
The InChIKey is MPDUNJXJBUPCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-6-14(7-3-1)15-8-9-16(20-19-15)18-12-13-5-4-10-17-11-13/h1-3,6-9,13,17H,4-5,10-12H2,(H,18,20).
What are the key properties of 6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine?
6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 116971112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).