2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile

C16H19N5O — CID 169340815

IUPAC2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1cc(N2CCC(C)CC2)ccc1NN=C(C#N)C#N
InChIInChI=1S/C16H19N5O/c1-12-5-7-21(8-6-12)14-3-4-15(16(9-14)22-2)20-19-13(10-17)11-18/h3-4,9,12,20H,5-8H2,1-2H3
InChIKeyHVIQHBZRAFDGOO-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.75
Rot. Bonds4

About 2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340815) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340815
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1cc(N2CCC(C)CC2)ccc1NN=C(C#N)C#N
InChIInChI=1S/C16H19N5O/c1-12-5-7-21(8-6-12)14-3-4-15(16(9-14)22-2)20-19-13(10-17)11-18/h3-4,9,12,20H,5-8H2,1-2H3
InChIKeyHVIQHBZRAFDGOO-UHFFFAOYSA-N
XLogP2.75
TPSA84.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341937
2-[[2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339423
2-[[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340237
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169337896
1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine
CID 168604836
3-methoxy-4-(4-methylpiperidin-1-yl)benzonitrile
CID 113460391
2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile
CID 169338596
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108992539
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574
4-(4-methylpiperidin-1-yl)benzonitrile
CID 3152080
N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide
CID 134332458

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169340815) is 2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile is COc1cc(N2CCC(C)CC2)ccc1NN=C(C#N)C#N.
What is the InChIKey of 2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is HVIQHBZRAFDGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-5-7-21(8-6-12)14-3-4-15(16(9-14)22-2)20-19-13(10-17)11-18/h3-4,9,12,20H,5-8H2,1-2H3.
What are the key properties of 2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 297.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).