N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine

C21H26N6 — CID 47054208

IUPACN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
SMILESCC1CCCN(Cc2ccccc2CNc2cncc(-n3cccn3)n2)C1
InChIInChI=1S/C21H26N6/c1-17-6-4-10-26(15-17)16-19-8-3-2-7-18(19)12-23-20-13-22-14-21(25-20)27-11-5-9-24-27/h2-3,5,7-9,11,13-14,17H,4,6,10,12,15-16H2,1H3,(H,23,25)
InChIKeyHRVMLAIZHCNBHR-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.51
Rot. Bonds6

About N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine (PubChem CID 47054208) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
PubChem CID47054208
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
SMILESCC1CCCN(Cc2ccccc2CNc2cncc(-n3cccn3)n2)C1
InChIInChI=1S/C21H26N6/c1-17-6-4-10-26(15-17)16-19-8-3-2-7-18(19)12-23-20-13-22-14-21(25-20)27-11-5-9-24-27/h2-3,5,7-9,11,13-14,17H,4,6,10,12,15-16H2,1H3,(H,23,25)
InChIKeyHRVMLAIZHCNBHR-UHFFFAOYSA-N
XLogP3.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94424858
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 60504551
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitropyridin-2-amine
CID 60504549
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 60504469
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525736
1-ethyl-2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906434
6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine
CID 60567887
6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine
CID 143705347

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine?
The IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine (CID 47054208) is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine.
What is the SMILES notation for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine?
The canonical SMILES for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine is CC1CCCN(Cc2ccccc2CNc2cncc(-n3cccn3)n2)C1.
What is the InChIKey of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine?
The InChIKey is HRVMLAIZHCNBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-17-6-4-10-26(15-17)16-19-8-3-2-7-18(19)12-23-20-13-22-14-21(25-20)27-11-5-9-24-27/h2-3,5,7-9,11,13-14,17H,4,6,10,12,15-16H2,1H3,(H,23,25).
What are the key properties of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine?
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine has a molecular weight of 362.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine is sourced from PubChem (CID 47054208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).