N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline

C14H21N3 — CID 91586903

IUPACN-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
SMILESCNc1ccc(/C(C)=N\N2CCCCC2)cc1
InChIInChI=1S/C14H21N3/c1-12(16-17-10-4-3-5-11-17)13-6-8-14(15-2)9-7-13/h6-9,15H,3-5,10-11H2,1-2H3/b16-12-
InChIKeyVXWFARSPQLLAOM-VBKFSLOCSA-N
MW231.34 g/mol
LogP2.94
Rot. Bonds3

About N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline

N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline (PubChem CID 91586903) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
PubChem CID91586903
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
SMILESCNc1ccc(/C(C)=N\N2CCCCC2)cc1
InChIInChI=1S/C14H21N3/c1-12(16-17-10-4-3-5-11-17)13-6-8-14(15-2)9-7-13/h6-9,15H,3-5,10-11H2,1-2H3/b16-12-
InChIKeyVXWFARSPQLLAOM-VBKFSLOCSA-N
XLogP2.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
(Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
CID 75402436
4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 91415552
N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline
CID 21400968
(E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine
CID 138969794
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide
CID 79155365
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 89329484
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646
4-(azocan-1-ylsulfonyl)-N-methylaniline
CID 43332108

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
The IUPAC name of N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline (CID 91586903) is N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline.
What is the SMILES notation for N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
The canonical SMILES for N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline is CNc1ccc(/C(C)=N\N2CCCCC2)cc1.
What is the InChIKey of N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
The InChIKey is VXWFARSPQLLAOM-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H21N3/c1-12(16-17-10-4-3-5-11-17)13-6-8-14(15-2)9-7-13/h6-9,15H,3-5,10-11H2,1-2H3/b16-12-.
What are the key properties of N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline has a molecular weight of 231.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline is sourced from PubChem (CID 91586903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).