1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine

C15H25N3 — CID 62912336

IUPAC1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine
SMILESCCN1CCC(N(C)c2ccc(C)c(N)c2)CC1
InChIInChI=1S/C15H25N3/c1-4-18-9-7-13(8-10-18)17(3)14-6-5-12(2)15(16)11-14/h5-6,11,13H,4,7-10,16H2,1-3H3
InChIKeyCVRUUXOWGURREC-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.50
Rot. Bonds3

About 1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine

1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine (PubChem CID 62912336) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine
PubChem CID62912336
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine
SMILESCCN1CCC(N(C)c2ccc(C)c(N)c2)CC1
InChIInChI=1S/C15H25N3/c1-4-18-9-7-13(8-10-18)17(3)14-6-5-12(2)15(16)11-14/h5-6,11,13H,4,7-10,16H2,1-3H3
InChIKeyCVRUUXOWGURREC-UHFFFAOYSA-N
XLogP2.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 55004205
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 55004013
N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 63785374
N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082122
4-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarbothioamide
CID 55002690
1-N-(1-ethylpiperidin-4-yl)-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66093142
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635
2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
CID 55086413
4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine
CID 55004739
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341
1-N,4-dimethyl-1-N-pentan-3-ylbenzene-1,3-diamine
CID 62910591
[4-[(1-ethylpiperidin-4-yl)-methylamino]-2-pyridinyl]methanol
CID 55003019

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine (CID 62912336) is 1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine is CCN1CCC(N(C)c2ccc(C)c(N)c2)CC1.
What is the InChIKey of 1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine?
The InChIKey is CVRUUXOWGURREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-18-9-7-13(8-10-18)17(3)14-6-5-12(2)15(16)11-14/h5-6,11,13H,4,7-10,16H2,1-3H3.
What are the key properties of 1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine?
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 62912336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).