[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine

C12H22N4 — CID 62126736

IUPAC[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1Cc1cnn(C)c1
InChIInChI=1S/C12H22N4/c1-10-3-4-11(5-13)8-16(10)9-12-6-14-15(2)7-12/h6-7,10-11H,3-5,8-9,13H2,1-2H3
InChIKeyDSCLETNBHSMZDY-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.98
Rot. Bonds3

About [6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine

[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine (PubChem CID 62126736) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
PubChem CID62126736
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1Cc1cnn(C)c1
InChIInChI=1S/C12H22N4/c1-10-3-4-11(5-13)8-16(10)9-12-6-14-15(2)7-12/h6-7,10-11H,3-5,8-9,13H2,1-2H3
InChIKeyDSCLETNBHSMZDY-UHFFFAOYSA-N
XLogP0.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830711
[4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 122360339
7-methyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64872168
[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 66480996
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
3-ethyl-3,7-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64871624
5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 82507618
4-[[3-(bromomethyl)-2-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 130948647
2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839289
(3aR,7aR)-4-(cyclopropylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97422950
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 112594346

Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine (CID 62126736) is [6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine is CC1CCC(CN)CN1Cc1cnn(C)c1.
What is the InChIKey of [6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine?
The InChIKey is DSCLETNBHSMZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-3-4-11(5-13)8-16(10)9-12-6-14-15(2)7-12/h6-7,10-11H,3-5,8-9,13H2,1-2H3.
What are the key properties of [6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine?
[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 62126736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).