(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine

C16H22N4 — CID 120845954

IUPAC(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
SMILESCc1ccccc1-n1nccc1CN1CCC[C@@H](N)C1
InChIInChI=1S/C16H22N4/c1-13-5-2-3-7-16(13)20-15(8-9-18-20)12-19-10-4-6-14(17)11-19/h2-3,5,7-9,14H,4,6,10-12,17H2,1H3/t14-/m1/s1
InChIKeyCYFVTJXZQUGDNI-CQSZACIVSA-N
MW270.38 g/mol
LogP2.10
Rot. Bonds3

About (3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine

(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine (PubChem CID 120845954) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is (3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
PubChem CID120845954
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
SMILESCc1ccccc1-n1nccc1CN1CCC[C@@H](N)C1
InChIInChI=1S/C16H22N4/c1-13-5-2-3-7-16(13)20-15(8-9-18-20)12-19-10-4-6-14(17)11-19/h2-3,5,7-9,14H,4,6,10-12,17H2,1H3/t14-/m1/s1
InChIKeyCYFVTJXZQUGDNI-CQSZACIVSA-N
XLogP2.10
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine
CID 120835735
N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine
CID 120834087
N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837287
(3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
CID 120845564
3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
CID 120840201
1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride
CID 120834889
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
CID 120834427
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine
CID 24905023
[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837654
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840739

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine (CID 120845954) is (3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine is Cc1ccccc1-n1nccc1CN1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine?
The InChIKey is CYFVTJXZQUGDNI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-5-2-3-7-16(13)20-15(8-9-18-20)12-19-10-4-6-14(17)11-19/h2-3,5,7-9,14H,4,6,10-12,17H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine?
(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 120845954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).