N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine

C13H24N4 — CID 63855206

IUPACN-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
SMILESCNC(C)C1CCCCN1Cc1cnn(C)c1
InChIInChI=1S/C13H24N4/c1-11(14-2)13-6-4-5-7-17(13)10-12-8-15-16(3)9-12/h8-9,11,13-14H,4-7,10H2,1-3H3
InChIKeyKIIWBDQVKZBPSI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.38
Rot. Bonds4

About N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine

N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 63855206) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID63855206
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
SMILESCNC(C)C1CCCCN1Cc1cnn(C)c1
InChIInChI=1S/C13H24N4/c1-11(14-2)13-6-4-5-7-17(13)10-12-8-15-16(3)9-12/h8-9,11,13-14H,4-7,10H2,1-3H3
InChIKeyKIIWBDQVKZBPSI-UHFFFAOYSA-N
XLogP1.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 55256480
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 104869108
1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol
CID 111107030
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79539306
1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine
CID 63852929
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanamine
CID 63854336
N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine
CID 63854669
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
N,1-dimethyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337137
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
1-[2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 86768380

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine (CID 63855206) is N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine is CNC(C)C1CCCCN1Cc1cnn(C)c1.
What is the InChIKey of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is KIIWBDQVKZBPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(14-2)13-6-4-5-7-17(13)10-12-8-15-16(3)9-12/h8-9,11,13-14H,4-7,10H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine?
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63855206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).