1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine

C19H29N5 — CID 56701604

IUPAC1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCCCn1cnnc1CNC1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C19H29N5/c1-4-10-24-14-21-22-19(24)13-20-17-8-11-23(12-9-17)18-7-5-6-15(2)16(18)3/h5-7,14,17,20H,4,8-13H2,1-3H3
InChIKeyXNSODKYZTFANGM-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.06
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine

1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (PubChem CID 56701604) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
PubChem CID56701604
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCCCn1cnnc1CNC1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C19H29N5/c1-4-10-24-14-21-22-19(24)13-20-17-8-11-23(12-9-17)18-7-5-6-15(2)16(18)3/h5-7,14,17,20H,4,8-13H2,1-3H3
InChIKeyXNSODKYZTFANGM-UHFFFAOYSA-N
XLogP3.06
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (CID 56701604) is 1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is CCCn1cnnc1CNC1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is XNSODKYZTFANGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-4-10-24-14-21-22-19(24)13-20-17-8-11-23(12-9-17)18-7-5-6-15(2)16(18)3/h5-7,14,17,20H,4,8-13H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 327.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 56701604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).