N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine

C13H24N4 — CID 55220183

IUPACN-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CCn1cccn1
InChIInChI=1S/C13H24N4/c1-2-14-12-13-6-3-4-8-16(13)10-11-17-9-5-7-15-17/h5,7,9,13-14H,2-4,6,8,10-12H2,1H3
InChIKeyLYUXVFMFZBGQQE-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.35
Rot. Bonds6

About N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine

N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine (PubChem CID 55220183) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
PubChem CID55220183
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CCn1cccn1
InChIInChI=1S/C13H24N4/c1-2-14-12-13-6-3-4-8-16(13)10-11-17-9-5-7-15-17/h5,7,9,13-14H,2-4,6,8,10-12H2,1H3
InChIKeyLYUXVFMFZBGQQE-UHFFFAOYSA-N
XLogP1.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 119928529
1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 82896777
N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 82867061
N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62579810
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methyl]ethanamine
CID 112589848
2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide
CID 106054632
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62580932
N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 63847833
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine (CID 55220183) is N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1CCn1cccn1.
What is the InChIKey of N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is LYUXVFMFZBGQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-2-14-12-13-6-3-4-8-16(13)10-11-17-9-5-7-15-17/h5,7,9,13-14H,2-4,6,8,10-12H2,1H3.
What are the key properties of N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine?
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 55220183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).