N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine

C11H20N4 — CID 50989058

IUPACN-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
SMILESCNC1CCN(CCn2cccn2)CC1
InChIInChI=1S/C11H20N4/c1-12-11-3-7-14(8-4-11)9-10-15-6-2-5-13-15/h2,5-6,11-12H,3-4,7-10H2,1H3
InChIKeyXHHOYTGSLPBUOO-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.57
Rot. Bonds4

About N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine

N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine (PubChem CID 50989058) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
PubChem CID50989058
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
SMILESCNC1CCN(CCn2cccn2)CC1
InChIInChI=1S/C11H20N4/c1-12-11-3-7-14(8-4-11)9-10-15-6-2-5-13-15/h2,5-6,11-12H,3-4,7-10H2,1H3
InChIKeyXHHOYTGSLPBUOO-UHFFFAOYSA-N
XLogP0.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine (CID 50989058) is N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine is CNC1CCN(CCn2cccn2)CC1.
What is the InChIKey of N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The InChIKey is XHHOYTGSLPBUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-12-11-3-7-14(8-4-11)9-10-15-6-2-5-13-15/h2,5-6,11-12H,3-4,7-10H2,1H3.
What are the key properties of N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine?
N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine has a molecular weight of 208.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine is sourced from PubChem (CID 50989058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).