N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C16H19ClN4 — CID 119123985

IUPACN-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESClc1cccc(CNC2CCCN(c3cccnn3)C2)c1
InChIInChI=1S/C16H19ClN4/c17-14-5-1-4-13(10-14)11-18-15-6-3-9-21(12-15)16-7-2-8-19-20-16/h1-2,4-5,7-8,10,15,18H,3,6,9,11-12H2
InChIKeyHZBPWBQLEZXNCO-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.89
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 119123985) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID119123985
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESClc1cccc(CNC2CCCN(c3cccnn3)C2)c1
InChIInChI=1S/C16H19ClN4/c17-14-5-1-4-13(10-14)11-18-15-6-3-9-21(12-15)16-7-2-8-19-20-16/h1-2,4-5,7-8,10,15,18H,3,6,9,11-12H2
InChIKeyHZBPWBQLEZXNCO-UHFFFAOYSA-N
XLogP2.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127383
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127441
1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119127379
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119125297
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184
N-[(5-bromo-2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127371
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127367

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 119123985) is N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is Clc1cccc(CNC2CCCN(c3cccnn3)C2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is HZBPWBQLEZXNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-14-5-1-4-13(10-14)11-18-15-6-3-9-21(12-15)16-7-2-8-19-20-16/h1-2,4-5,7-8,10,15,18H,3,6,9,11-12H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 302.81 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 119123985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).