1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine

C14H19N5 — CID 166212705

IUPAC1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine
SMILESCn1ncnc1N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C14H19N5/c1-18-14(15-11-16-18)19-9-5-8-13(10-19)17-12-6-3-2-4-7-12/h2-4,6-7,11,13,17H,5,8-10H2,1H3
InChIKeyVBUCUCOSKPGZDB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine

1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine (PubChem CID 166212705) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine
PubChem CID166212705
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine
SMILESCn1ncnc1N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C14H19N5/c1-18-14(15-11-16-18)19-9-5-8-13(10-19)17-12-6-3-2-4-7-12/h2-4,6-7,11,13,17H,5,8-10H2,1H3
InChIKeyVBUCUCOSKPGZDB-UHFFFAOYSA-N
XLogP1.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
5-[(3S)-3-anilinopiperidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 97226291
(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
CID 171084156
(3S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidin-3-amine
CID 124743111
3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
CID 97082744
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
(3S)-1-(3-methyl-1-oxidopyridin-1-ium-4-yl)-N-phenylpiperidin-3-amine
CID 99796749
N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 133362403
1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
CID 133363140
6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
CID 97099971
1-(3-bromo-5-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
CID 133363138
6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
CID 133363190

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine?
The IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine (CID 166212705) is 1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine.
What is the SMILES notation for 1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine?
The canonical SMILES for 1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine is Cn1ncnc1N1CCCC(Nc2ccccc2)C1.
What is the InChIKey of 1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine?
The InChIKey is VBUCUCOSKPGZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-18-14(15-11-16-18)19-9-5-8-13(10-19)17-12-6-3-2-4-7-12/h2-4,6-7,11,13,17H,5,8-10H2,1H3.
What are the key properties of 1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine?
1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine is sourced from PubChem (CID 166212705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).