4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine

C14H21Cl2N3 — CID 107163015

IUPAC4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine
SMILESCN1CCC(C)(CNc2cc(Cl)c(Cl)cc2N)CC1
InChIInChI=1S/C14H21Cl2N3/c1-14(3-5-19(2)6-4-14)9-18-13-8-11(16)10(15)7-12(13)17/h7-8,18H,3-6,9,17H2,1-2H3
InChIKeyOFYDUDWQJJDRDT-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.72
Rot. Bonds3

About 4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine

4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine (PubChem CID 107163015) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine
PubChem CID107163015
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine
SMILESCN1CCC(C)(CNc2cc(Cl)c(Cl)cc2N)CC1
InChIInChI=1S/C14H21Cl2N3/c1-14(3-5-19(2)6-4-14)9-18-13-8-11(16)10(15)7-12(13)17/h7-8,18H,3-6,9,17H2,1-2H3
InChIKeyOFYDUDWQJJDRDT-UHFFFAOYSA-N
XLogP3.72
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]benzenesulfonamide
CID 107163046
1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 107162990
1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-nitrobenzene-1,2-diamine
CID 107163006
1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 107163064
4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine
CID 114514955
5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide
CID 107197042
5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 102975963
8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine
CID 107163030
3-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-nitroaniline
CID 107164334
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 103989884
6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 107164897
4-bromo-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzenecarbothioamide
CID 107164143

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine (CID 107163015) is 4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine is CN1CCC(C)(CNc2cc(Cl)c(Cl)cc2N)CC1.
What is the InChIKey of 4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine?
The InChIKey is OFYDUDWQJJDRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-14(3-5-19(2)6-4-14)9-18-13-8-11(16)10(15)7-12(13)17/h7-8,18H,3-6,9,17H2,1-2H3.
What are the key properties of 4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine?
4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine has a molecular weight of 302.25 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 107163015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).