4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine

C14H21Cl2N3 — CID 114514955

IUPAC4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine
SMILESCN1CCC(CCNc2cc(Cl)c(Cl)cc2N)CC1
InChIInChI=1S/C14H21Cl2N3/c1-19-6-3-10(4-7-19)2-5-18-14-9-12(16)11(15)8-13(14)17/h8-10,18H,2-7,17H2,1H3
InChIKeyDAPZLNBPMQHHBM-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.72
Rot. Bonds4

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

4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine (PubChem CID 114514955) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine
PubChem CID114514955
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine
SMILESCN1CCC(CCNc2cc(Cl)c(Cl)cc2N)CC1
InChIInChI=1S/C14H21Cl2N3/c1-19-6-3-10(4-7-19)2-5-18-14-9-12(16)11(15)8-13(14)17/h8-10,18H,2-7,17H2,1H3
InChIKeyDAPZLNBPMQHHBM-UHFFFAOYSA-N
XLogP3.72
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-chloro-5-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine
CID 114514975
4-amino-3-[2-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 114516574
5-chloro-6-fluoro-1-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2,4-triamine
CID 103553520
4-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 114516573
[4-amino-3-[2-(1-methylpiperidin-4-yl)ethylamino]phenyl]-phenylmethanone
CID 66552910
5-chloro-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-4,6-diamine
CID 114049894
2-amino-4-fluoro-5-[2-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 114516577
4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514907
4-chloro-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515846
2-chloro-6-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515843
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,1,3-benzoxadiazole-4,7-diamine
CID 114515011
4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine
CID 107163015

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine (CID 114514955) is 4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine is CN1CCC(CCNc2cc(Cl)c(Cl)cc2N)CC1.
What is the InChIKey of 4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine?
The InChIKey is DAPZLNBPMQHHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-19-6-3-10(4-7-19)2-5-18-14-9-12(16)11(15)8-13(14)17/h8-10,18H,2-7,17H2,1H3.
What are the key properties of 4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine?
4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine has a molecular weight of 302.25 g/mol, XLogP of 3.72, 4 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-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 114514955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).