1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine

C21H31N5O — CID 47000523

IUPAC1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine
SMILESCOCCN1CCN(C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1
InChIInChI=1S/C21H31N5O/c1-27-18-17-23-13-15-25(16-14-23)20-7-11-24(12-8-20)19-3-5-21(6-4-19)26-10-2-9-22-26/h2-6,9-10,20H,7-8,11-18H2,1H3
InChIKeyQTHNDLWCPAKBMG-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.11
Rot. Bonds6

About 1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine

1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine (PubChem CID 47000523) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine
PubChem CID47000523
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine
SMILESCOCCN1CCN(C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1
InChIInChI=1S/C21H31N5O/c1-27-18-17-23-13-15-25(16-14-23)20-7-11-24(12-8-20)19-3-5-21(6-4-19)26-10-2-9-22-26/h2-6,9-10,20H,7-8,11-18H2,1H3
InChIKeyQTHNDLWCPAKBMG-UHFFFAOYSA-N
XLogP2.11
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine (CID 47000523) is 1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine is COCCN1CCN(C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine?
The InChIKey is QTHNDLWCPAKBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-27-18-17-23-13-15-25(16-14-23)20-7-11-24(12-8-20)19-3-5-21(6-4-19)26-10-2-9-22-26/h2-6,9-10,20H,7-8,11-18H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine?
1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine has a molecular weight of 369.51 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]piperazine is sourced from PubChem (CID 47000523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).