N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine

C18H26N4 — CID 120835735

IUPACN-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(Cc2ccnn2-c2ccccc2C)C1
InChIInChI=1S/C18H26N4/c1-15-6-3-4-8-18(15)22-17(9-10-20-22)14-21-11-5-7-16(13-21)12-19-2/h3-4,6,8-10,16,19H,5,7,11-14H2,1-2H3
InChIKeyPGOVWSTWFBOQGF-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.61
Rot. Bonds5

About N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine

N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine (PubChem CID 120835735) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine
PubChem CID120835735
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(Cc2ccnn2-c2ccccc2C)C1
InChIInChI=1S/C18H26N4/c1-15-6-3-4-8-18(15)22-17(9-10-20-22)14-21-11-5-7-16(13-21)12-19-2/h3-4,6,8-10,16,19H,5,7,11-14H2,1-2H3
InChIKeyPGOVWSTWFBOQGF-UHFFFAOYSA-N
XLogP2.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954
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
3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
CID 120840201
(3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
CID 120845564
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842677
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843116
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61204064
N-methyl-1-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119914598
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine (CID 120835735) is N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine is CNCC1CCCN(Cc2ccnn2-c2ccccc2C)C1.
What is the InChIKey of N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine?
The InChIKey is PGOVWSTWFBOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-15-6-3-4-8-18(15)22-17(9-10-20-22)14-21-11-5-7-16(13-21)12-19-2/h3-4,6,8-10,16,19H,5,7,11-14H2,1-2H3.
What are the key properties of N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine has a molecular weight of 298.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 120835735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).