1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine

C13H19ClN4 — CID 121326495

IUPAC1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine
SMILES[H]/N=C/c1c(N)cc(Cl)cc1N1CCC(NC)CC1
InChIInChI=1S/C13H19ClN4/c1-17-10-2-4-18(5-3-10)13-7-9(14)6-12(16)11(13)8-15/h6-8,10,15,17H,2-5,16H2,1H3/b15-8+
InChIKeyKZBZOCJROCZDED-OVCLIPMQSA-N
MW266.78 g/mol
LogP2.11
Rot. Bonds3

About 1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine

1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine (PubChem CID 121326495) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine
PubChem CID121326495
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine
SMILES[H]/N=C/c1c(N)cc(Cl)cc1N1CCC(NC)CC1
InChIInChI=1S/C13H19ClN4/c1-17-10-2-4-18(5-3-10)13-7-9(14)6-12(16)11(13)8-15/h6-8,10,15,17H,2-5,16H2,1H3/b15-8+
InChIKeyKZBZOCJROCZDED-OVCLIPMQSA-N
XLogP2.11
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.11
H-Bond Donors ≤ 53
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

5-chloro-2-methanimidoyl-3-(4-phenylpiperidin-1-yl)aniline
CID 121325864
3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-5-chloro-2-methanimidoylaniline
CID 163781869
8-(3-amino-5-chloro-2-methanimidoylphenyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 121326527
8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 121326921
1-[6-(3-amino-5-chloro-2-methanimidoylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 121326934
5-chloro-2-methanimidoyl-3-(4-nitroso-4-phenylpiperidin-1-yl)aniline
CID 121326249
8-(3-amino-5-chloro-2-methanimidoylphenyl)-6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 156523451
1-amino-8-(3-amino-5-chloro-2-methanimidoylphenyl)-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 121325924
5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline
CID 121326587
1-methanimidoyl-6-[4-(methylamino)piperidin-1-yl]-7,8,9,10-tetrahydrophenanthridin-2-amine
CID 142445734
N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide
CID 121325886
5-chloro-2-ethanimidoyl-3-piperazin-1-ylaniline
CID 121326241

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine (CID 121326495) is 1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine is [H]/N=C/c1c(N)cc(Cl)cc1N1CCC(NC)CC1.
What is the InChIKey of 1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine?
The InChIKey is KZBZOCJROCZDED-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-17-10-2-4-18(5-3-10)13-7-9(14)6-12(16)11(13)8-15/h6-8,10,15,17H,2-5,16H2,1H3/b15-8+.
What are the key properties of 1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine?
1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine has a molecular weight of 266.78 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 121326495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).