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

C13H24N4 — CID 63853080

IUPACN-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine
SMILESCNC(C)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C13H24N4/c1-12(14-2)13-4-8-16(9-5-13)10-11-17-7-3-6-15-17/h3,6-7,12-14H,4-5,8-11H2,1-2H3
InChIKeyFSCLKIUPOVYABN-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.20
Rot. Bonds5

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

N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine (PubChem CID 63853080) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine
PubChem CID63853080
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine
SMILESCNC(C)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C13H24N4/c1-12(14-2)13-4-8-16(9-5-13)10-11-17-7-3-6-15-17/h3,6-7,12-14H,4-5,8-11H2,1-2H3
InChIKeyFSCLKIUPOVYABN-UHFFFAOYSA-N
XLogP1.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
CID 63853072
1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine
CID 63852723
(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 97065320
N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 124617495
N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
CID 119903136
1-cyclopentyl-N-methyl-2-pyrazol-1-ylethanamine
CID 104747063
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
CID 81046095
(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
CID 115278412
1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47221371
1-[2-[(3S)-3-benzylpyrrolidin-1-yl]ethyl]pyrazole
CID 124607305
N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 119928529

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine (CID 63853080) is N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine is CNC(C)C1CCN(CCn2cccn2)CC1.
What is the InChIKey of N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine?
The InChIKey is FSCLKIUPOVYABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(14-2)13-4-8-16(9-5-13)10-11-17-7-3-6-15-17/h3,6-7,12-14H,4-5,8-11H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine?
N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.20, 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-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63853080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).