4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline

C14H20ClN3 — CID 91415552

IUPAC4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\N1CCCCC1
InChIInChI=1S/C14H20ClN3/c1-11(17-18-8-4-3-5-9-18)13-10-12(15)6-7-14(13)16-2/h6-7,10,16H,3-5,8-9H2,1-2H3/b17-11-
InChIKeyOGHJWIZDLXVFKF-BOPFTXTBSA-N
MW265.79 g/mol
LogP3.59
Rot. Bonds3

About 4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline

4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline (PubChem CID 91415552) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
PubChem CID91415552
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\N1CCCCC1
InChIInChI=1S/C14H20ClN3/c1-11(17-18-8-4-3-5-9-18)13-10-12(15)6-7-14(13)16-2/h6-7,10,16H,3-5,8-9H2,1-2H3/b17-11-
InChIKeyOGHJWIZDLXVFKF-BOPFTXTBSA-N
XLogP3.59
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.59
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-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione
CID 91500784
4-chloro-N-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-N-prop-2-ynylaniline
CID 58987682
4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-N-prop-2-ynylaniline
CID 90846180
3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione
CID 58987854
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline
CID 91391207
4-chloro-2-[(Z)-N-indazol-2-yl-C-methylcarbonimidoyl]-N-methylaniline
CID 91258631
4-chloro-2-[(E)-N-(3,5-dichloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987806
3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
CID 91183805
4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90733537
4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91332262

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
The IUPAC name of 4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline (CID 91415552) is 4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline.
What is the SMILES notation for 4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
The canonical SMILES for 4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline is CNc1ccc(Cl)cc1/C(C)=N\N1CCCCC1.
What is the InChIKey of 4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
The InChIKey is OGHJWIZDLXVFKF-BOPFTXTBSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-11(17-18-8-4-3-5-9-18)13-10-12(15)6-7-14(13)16-2/h6-7,10,16H,3-5,8-9H2,1-2H3/b17-11-.
What are the key properties of 4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline?
4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline has a molecular weight of 265.79 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline is sourced from PubChem (CID 91415552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).