1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine

C15H25N3 — CID 83011948

IUPAC1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine
SMILESCc1cccc(C(CN)NN2CCCCC2)c1C
InChIInChI=1S/C15H25N3/c1-12-7-6-8-14(13(12)2)15(11-16)17-18-9-4-3-5-10-18/h6-8,15,17H,3-5,9-11,16H2,1-2H3
InChIKeyAMQUTNIPCASGPY-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine

1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine (PubChem CID 83011948) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine
PubChem CID83011948
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine
SMILESCc1cccc(C(CN)NN2CCCCC2)c1C
InChIInChI=1S/C15H25N3/c1-12-7-6-8-14(13(12)2)15(11-16)17-18-9-4-3-5-10-18/h6-8,15,17H,3-5,9-11,16H2,1-2H3
InChIKeyAMQUTNIPCASGPY-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83012265
N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382887
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011833
N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382748
2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83921996
N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine
CID 83010794
1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65378155
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine
CID 79916476
2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine
CID 62206935
[1-(2,3-dimethylphenyl)-4-methylpentyl]hydrazine
CID 105207464

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine (CID 83011948) is 1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine is Cc1cccc(C(CN)NN2CCCCC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine?
The InChIKey is AMQUTNIPCASGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-7-6-8-14(13(12)2)15(11-16)17-18-9-4-3-5-10-18/h6-8,15,17H,3-5,9-11,16H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine?
1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine is sourced from PubChem (CID 83011948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).