1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine

C14H23N3 — CID 82021402

IUPAC1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine
SMILESCC1CCCN(c2ccc(N(C)C)cc2N)C1
InChIInChI=1S/C14H23N3/c1-11-5-4-8-17(10-11)14-7-6-12(16(2)3)9-13(14)15/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyZVTXJUQRBZQDJH-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.57
Rot. Bonds2

About 1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine

1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine (PubChem CID 82021402) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine
PubChem CID82021402
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine
SMILESCC1CCCN(c2ccc(N(C)C)cc2N)C1
InChIInChI=1S/C14H23N3/c1-11-5-4-8-17(10-11)14-7-6-12(16(2)3)9-13(14)15/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyZVTXJUQRBZQDJH-UHFFFAOYSA-N
XLogP2.57
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(3-methylpyrrolidin-1-yl)aniline
CID 61227172
3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912
ethyl 3-amino-4-[(3R)-3-methylpiperidin-1-yl]benzoate
CID 86319022
2-methyl-3-(3-methylpiperidin-1-yl)aniline
CID 63076229
5-chloro-4-fluoro-2-(3-methylpiperidin-1-yl)aniline
CID 66079508
5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline
CID 166450828
2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 54100198
tert-butyl 4-[3-amino-4-(3-methylpiperidin-1-yl)phenyl]piperidine-1-carboxylate
CID 169488617
4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 82898767
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 82971938

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine (CID 82021402) is 1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine is CC1CCCN(c2ccc(N(C)C)cc2N)C1.
What is the InChIKey of 1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine?
The InChIKey is ZVTXJUQRBZQDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-5-4-8-17(10-11)14-7-6-12(16(2)3)9-13(14)15/h6-7,9,11H,4-5,8,10,15H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine?
1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine is sourced from PubChem (CID 82021402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).