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

C15H25N3 — CID 61240847

IUPAC2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine
SMILESCc1cc(N)ccc1NCCN1CCC(C)CC1
InChIInChI=1S/C15H25N3/c1-12-5-8-18(9-6-12)10-7-17-15-4-3-14(16)11-13(15)2/h3-4,11-12,17H,5-10,16H2,1-2H3
InChIKeySOOXIDXHLTWBSG-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.72
Rot. Bonds4

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

2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine (PubChem CID 61240847) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine
PubChem CID61240847
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine
SMILESCc1cc(N)ccc1NCCN1CCC(C)CC1
InChIInChI=1S/C15H25N3/c1-12-5-8-18(9-6-12)10-7-17-15-4-3-14(16)11-13(15)2/h3-4,11-12,17H,5-10,16H2,1-2H3
InChIKeySOOXIDXHLTWBSG-UHFFFAOYSA-N
XLogP2.72
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.72
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

5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol
CID 142890139
2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54807933
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
CID 64588487
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54806883
4-chloro-5-fluoro-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,2-diamine
CID 66077222
2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107303497
4-fluoro-5-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-nitroaniline
CID 103591567
2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
6-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-2,6-diamine
CID 80647391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine (CID 61240847) is 2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine is Cc1cc(N)ccc1NCCN1CCC(C)CC1.
What is the InChIKey of 2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine?
The InChIKey is SOOXIDXHLTWBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-5-8-18(9-6-12)10-7-17-15-4-3-14(16)11-13(15)2/h3-4,11-12,17H,5-10,16H2,1-2H3.
What are the key properties of 2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine?
2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 61240847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).