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

C14H19N5 — CID 80553652

IUPACN-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
SMILESc1cc(NCC2CCCNC2)cc(-n2cnnc2)c1
InChIInChI=1S/C14H19N5/c1-4-13(16-9-12-3-2-6-15-8-12)7-14(5-1)19-10-17-18-11-19/h1,4-5,7,10-12,15-16H,2-3,6,8-9H2
InChIKeyZUIVKBGZBPZQOJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.68
Rot. Bonds4

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

N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline (PubChem CID 80553652) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
PubChem CID80553652
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
SMILESc1cc(NCC2CCCNC2)cc(-n2cnnc2)c1
InChIInChI=1S/C14H19N5/c1-4-13(16-9-12-3-2-6-15-8-12)7-14(5-1)19-10-17-18-11-19/h1,4-5,7,10-12,15-16H,2-3,6,8-9H2
InChIKeyZUIVKBGZBPZQOJ-UHFFFAOYSA-N
XLogP1.68
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692027
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017
3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline
CID 80554256
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline
CID 80554258
N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
CID 43733000
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 103276314
2-[3-(piperidin-3-ylmethylamino)phenoxy]acetonitrile
CID 80554089
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 106637585
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
CID 130523385

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
The IUPAC name of N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline (CID 80553652) is N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
The canonical SMILES for N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline is c1cc(NCC2CCCNC2)cc(-n2cnnc2)c1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
The InChIKey is ZUIVKBGZBPZQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-13(16-9-12-3-2-6-15-8-12)7-14(5-1)19-10-17-18-11-19/h1,4-5,7,10-12,15-16H,2-3,6,8-9H2.
What are the key properties of N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline has a molecular weight of 257.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline is sourced from PubChem (CID 80553652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).