1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine

C22H31N3 — CID 169385846

IUPAC1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine
SMILESCc1cc(CNNc2ccccc2)c(C)c(CN2CCC(C)CC2)c1
InChIInChI=1S/C22H31N3/c1-17-9-11-25(12-10-17)16-21-14-18(2)13-20(19(21)3)15-23-24-22-7-5-4-6-8-22/h4-8,13-14,17,23-24H,9-12,15-16H2,1-3H3
InChIKeyQXYJITBPZBYFQW-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.65
Rot. Bonds6

About 1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine

1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine (PubChem CID 169385846) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine
PubChem CID169385846
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine
SMILESCc1cc(CNNc2ccccc2)c(C)c(CN2CCC(C)CC2)c1
InChIInChI=1S/C22H31N3/c1-17-9-11-25(12-10-17)16-21-14-18(2)13-20(19(21)3)15-23-24-22-7-5-4-6-8-22/h4-8,13-14,17,23-24H,9-12,15-16H2,1-3H3
InChIKeyQXYJITBPZBYFQW-UHFFFAOYSA-N
XLogP4.65
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine
CID 99946878
1-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 131917300
4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine
CID 78899337
1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine
CID 169385039
(3aR,6aS)-2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol;formic acid
CID 154922775
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]thiourea
CID 168535340
[5-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90649431
1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine
CID 99928526
2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394577
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
2-methyl-1-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915687

Frequently Asked Questions

What is the IUPAC name of 1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine (CID 169385846) is 1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine is Cc1cc(CNNc2ccccc2)c(C)c(CN2CCC(C)CC2)c1.
What is the InChIKey of 1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine?
The InChIKey is QXYJITBPZBYFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-17-9-11-25(12-10-17)16-21-14-18(2)13-20(19(21)3)15-23-24-22-7-5-4-6-8-22/h4-8,13-14,17,23-24H,9-12,15-16H2,1-3H3.
What are the key properties of 1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine?
1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine has a molecular weight of 337.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).