N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine

C17H24N4 — CID 63250287

IUPACN-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H24N4/c1-18-13-17-5-2-3-11-20(17)14-15-6-8-16(9-7-15)21-12-4-10-19-21/h4,6-10,12,17-18H,2-3,5,11,13-14H2,1H3
InChIKeyLGIMQCSWEKBNFX-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.45
Rot. Bonds5

About N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine

N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 63250287) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
PubChem CID63250287
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H24N4/c1-18-13-17-5-2-3-11-20(17)14-15-6-8-16(9-7-15)21-12-4-10-19-21/h4,6-10,12,17-18H,2-3,5,11,13-14H2,1H3
InChIKeyLGIMQCSWEKBNFX-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 81492961
(2S)-2-(1,3-dioxolan-2-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 95270190
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027872
4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63249745
N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
CID 55168734
(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99932857
1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249108
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
1-[(4-pyrazol-1-ylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681260
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735
1-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490906
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine (CID 63250287) is N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine is CNCC1CCCCN1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is LGIMQCSWEKBNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-18-13-17-5-2-3-11-20(17)14-15-6-8-16(9-7-15)21-12-4-10-19-21/h4,6-10,12,17-18H,2-3,5,11,13-14H2,1H3.
What are the key properties of N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 284.41 g/mol, XLogP of 2.45, 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-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 63250287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).