N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine

C27H34N4 — CID 11825837

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1cc(-c2ccccc2)nnc1NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H34N4/c1-21(2)25-19-26(24-11-7-4-8-12-24)29-30-27(25)28-16-13-22-14-17-31(18-15-22)20-23-9-5-3-6-10-23/h3-12,19,21-22H,13-18,20H2,1-2H3,(H,28,30)
InChIKeyVPUCFTPWWMDXSU-UHFFFAOYSA-N
MW414.60 g/mol
LogP5.98
Rot. Bonds8

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine (PubChem CID 11825837) has the molecular formula C27H34N4 and a molecular weight of 414.60 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine
PubChem CID11825837
Molecular FormulaC27H34N4
Molecular Weight414.60 g/mol
Exact Mass414.28
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1cc(-c2ccccc2)nnc1NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H34N4/c1-21(2)25-19-26(24-11-7-4-8-12-24)29-30-27(25)28-16-13-22-14-17-31(18-15-22)20-23-9-5-3-6-10-23/h3-12,19,21-22H,13-18,20H2,1-2H3,(H,28,30)
InChIKeyVPUCFTPWWMDXSU-UHFFFAOYSA-N
XLogP5.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine (CID 11825837) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine is CC(C)c1cc(-c2ccccc2)nnc1NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine?
The InChIKey is VPUCFTPWWMDXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4/c1-21(2)25-19-26(24-11-7-4-8-12-24)29-30-27(25)28-16-13-22-14-17-31(18-15-22)20-23-9-5-3-6-10-23/h3-12,19,21-22H,13-18,20H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine has a molecular weight of 414.60 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 11825837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).