3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline

C15H21N5 — CID 80554256

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline
SMILESCn1cnnc1-c1cccc(NCC2CCCNC2)c1
InChIInChI=1S/C15H21N5/c1-20-11-18-19-15(20)13-5-2-6-14(8-13)17-10-12-4-3-7-16-9-12/h2,5-6,8,11-12,16-17H,3-4,7,9-10H2,1H3
InChIKeyDEHPBFKCLKGMGU-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.89
Rot. Bonds4

About 3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline

3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline (PubChem CID 80554256) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline
PubChem CID80554256
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline
SMILESCn1cnnc1-c1cccc(NCC2CCCNC2)c1
InChIInChI=1S/C15H21N5/c1-20-11-18-19-15(20)13-5-2-6-14(8-13)17-10-12-4-3-7-16-9-12/h2,5-6,8,11-12,16-17H,3-4,7,9-10H2,1H3
InChIKeyDEHPBFKCLKGMGU-UHFFFAOYSA-N
XLogP1.89
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 80553652
N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline
CID 80554258
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738680
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119293654
1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
CID 130523385
2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 79378129
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657022
N-(azetidin-3-ylmethyl)-3-methylaniline
CID 84655686
2-[3-(piperidin-3-ylmethylamino)phenoxy]acetonitrile
CID 80554089

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline (CID 80554256) is 3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline is Cn1cnnc1-c1cccc(NCC2CCCNC2)c1.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is DEHPBFKCLKGMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-20-11-18-19-15(20)13-5-2-6-14(8-13)17-10-12-4-3-7-16-9-12/h2,5-6,8,11-12,16-17H,3-4,7,9-10H2,1H3.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline?
3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 271.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 80554256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).