3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline

C16H22N4 — CID 71913685

IUPAC3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESc1cc(CN2CCCCC2)cc(NCc2ccn[nH]2)c1
InChIInChI=1S/C16H22N4/c1-2-9-20(10-3-1)13-14-5-4-6-15(11-14)17-12-16-7-8-18-19-16/h4-8,11,17H,1-3,9-10,12-13H2,(H,18,19)
InChIKeyOYCYOCSXPVETAI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.01
Rot. Bonds5

About 3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline

3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline (PubChem CID 71913685) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline
PubChem CID71913685
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESc1cc(CN2CCCCC2)cc(NCc2ccn[nH]2)c1
InChIInChI=1S/C16H22N4/c1-2-9-20(10-3-1)13-14-5-4-6-15(11-14)17-12-16-7-8-18-19-16/h4-8,11,17H,1-3,9-10,12-13H2,(H,18,19)
InChIKeyOYCYOCSXPVETAI-UHFFFAOYSA-N
XLogP3.01
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline?
The IUPAC name of 3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline (CID 71913685) is 3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline is c1cc(CN2CCCCC2)cc(NCc2ccn[nH]2)c1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline?
The InChIKey is OYCYOCSXPVETAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-9-20(10-3-1)13-14-5-4-6-15(11-14)17-12-16-7-8-18-19-16/h4-8,11,17H,1-3,9-10,12-13H2,(H,18,19).
What are the key properties of 3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline?
3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline has a molecular weight of 270.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)aniline is sourced from PubChem (CID 71913685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).