N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine

C11H20N4O — CID 61017064

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine
SMILESCOCCn1cc(NC2CCNCC2)cn1
InChIInChI=1S/C11H20N4O/c1-16-7-6-15-9-11(8-13-15)14-10-2-4-12-5-3-10/h8-10,12,14H,2-7H2,1H3
InChIKeyJVWUPEBODSCYKW-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.69
Rot. Bonds5

About N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine

N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine (PubChem CID 61017064) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine
PubChem CID61017064
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine
SMILESCOCCn1cc(NC2CCNCC2)cn1
InChIInChI=1S/C11H20N4O/c1-16-7-6-15-9-11(8-13-15)14-10-2-4-12-5-3-10/h8-10,12,14H,2-7H2,1H3
InChIKeyJVWUPEBODSCYKW-UHFFFAOYSA-N
XLogP0.69
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine (CID 61017064) is N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine is COCCn1cc(NC2CCNCC2)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine?
The InChIKey is JVWUPEBODSCYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-16-7-6-15-9-11(8-13-15)14-10-2-4-12-5-3-10/h8-10,12,14H,2-7H2,1H3.
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine?
N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine has a molecular weight of 224.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 61017064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).