2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine

C15H25N3 — CID 82021053

IUPAC2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine
SMILESCC(CN)N(C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H25N3/c1-13(12-16)17(2)14-6-8-15(9-7-14)18-10-4-3-5-11-18/h6-9,13H,3-5,10-12,16H2,1-2H3
InChIKeyANIJXBZNFQFDCN-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.46
Rot. Bonds4

About 2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine

2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine (PubChem CID 82021053) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine
PubChem CID82021053
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine
SMILESCC(CN)N(C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H25N3/c1-13(12-16)17(2)14-6-8-15(9-7-14)18-10-4-3-5-11-18/h6-9,13H,3-5,10-12,16H2,1-2H3
InChIKeyANIJXBZNFQFDCN-UHFFFAOYSA-N
XLogP2.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55263892
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
N-(2-chloroethyl)-N-methyl-4-pyrrolidin-1-ylaniline
CID 82117163
ethanamine;4-piperidin-1-ylpyridin-1-ium
CID 142565329
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
2-(N-methyl-4-pyrrolidin-1-ylanilino)ethanol
CID 82114402
1,1-dideuterio-2-(4-piperidin-1-ylphenyl)propan-1-amine;hydrate;dihydrochloride
CID 21153102
2-methyl-3-(N-propan-2-yl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82318726
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine (CID 82021053) is 2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine is CC(CN)N(C)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine?
The InChIKey is ANIJXBZNFQFDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(12-16)17(2)14-6-8-15(9-7-14)18-10-4-3-5-11-18/h6-9,13H,3-5,10-12,16H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine?
2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine is sourced from PubChem (CID 82021053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).