2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline

C21H28N4 — CID 139982364

IUPAC2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline
SMILESCC(C)C(N=C1CCN(Cc2ccccn2)CC1)c1ccccc1N
InChIInChI=1S/C21H28N4/c1-16(2)21(19-8-3-4-9-20(19)22)24-17-10-13-25(14-11-17)15-18-7-5-6-12-23-18/h3-9,12,16,21H,10-11,13-15,22H2,1-2H3
InChIKeyZKPQNOUGZKHHQL-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.10
Rot. Bonds5

About 2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline

2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline (PubChem CID 139982364) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline.

Molecular Properties

Compound Name2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline
PubChem CID139982364
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline
SMILESCC(C)C(N=C1CCN(Cc2ccccn2)CC1)c1ccccc1N
InChIInChI=1S/C21H28N4/c1-16(2)21(19-8-3-4-9-20(19)22)24-17-10-13-25(14-11-17)15-18-7-5-6-12-23-18/h3-9,12,16,21H,10-11,13-15,22H2,1-2H3
InChIKeyZKPQNOUGZKHHQL-UHFFFAOYSA-N
XLogP4.10
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-1-[[1-[(3-methylphenyl)methyl]piperidin-4-ylidene]amino]propyl]aniline
CID 139982521
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine
CID 134055122
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134055422
3-chloro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19627843
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline?
The IUPAC name of 2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline (CID 139982364) is 2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline.
What is the SMILES notation for 2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline?
The canonical SMILES for 2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline is CC(C)C(N=C1CCN(Cc2ccccn2)CC1)c1ccccc1N.
What is the InChIKey of 2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline?
The InChIKey is ZKPQNOUGZKHHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-16(2)21(19-8-3-4-9-20(19)22)24-17-10-13-25(14-11-17)15-18-7-5-6-12-23-18/h3-9,12,16,21H,10-11,13-15,22H2,1-2H3.
What are the key properties of 2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline?
2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline has a molecular weight of 336.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]amino]propyl]aniline is sourced from PubChem (CID 139982364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).