N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline

C16H22N4 — CID 79708171

IUPACN-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
SMILESc1ccc(NCC2CCNCC2)c(Cn2cccn2)c1
InChIInChI=1S/C16H22N4/c1-2-5-16(18-12-14-6-9-17-10-7-14)15(4-1)13-20-11-3-8-19-20/h1-5,8,11,14,17-18H,6-7,9-10,12-13H2
InChIKeyGFBBRYJATZFPFS-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.34
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline

N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline (PubChem CID 79708171) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
PubChem CID79708171
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
SMILESc1ccc(NCC2CCNCC2)c(Cn2cccn2)c1
InChIInChI=1S/C16H22N4/c1-2-5-16(18-12-14-6-9-17-10-7-14)15(4-1)13-20-11-3-8-19-20/h1-5,8,11,14,17-18H,6-7,9-10,12-13H2
InChIKeyGFBBRYJATZFPFS-UHFFFAOYSA-N
XLogP2.34
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-3-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
CID 63740904
N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 62655278
2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707928
N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline
CID 43693822
N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 43693889
N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 107235050
N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline
CID 64501283
N-(3,4-dimethylcyclohexyl)-2-(pyrazol-1-ylmethyl)aniline
CID 64732808
N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
CID 162422883
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46427586
N-(azepan-4-ylmethyl)-2-chloroaniline
CID 84700952

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline (CID 79708171) is N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline is c1ccc(NCC2CCNCC2)c(Cn2cccn2)c1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline?
The InChIKey is GFBBRYJATZFPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-5-16(18-12-14-6-9-17-10-7-14)15(4-1)13-20-11-3-8-19-20/h1-5,8,11,14,17-18H,6-7,9-10,12-13H2.
What are the key properties of N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline?
N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline has a molecular weight of 270.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 79708171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).