1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine

C25H42N4 — CID 69192957

IUPAC1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine
SMILESCCN(CC)CC.CCc1cc(CC)n(C2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H27N3.C6H15N/c1-3-17-14-18(4-2)22(20-17)19-10-12-21(13-11-19)15-16-8-6-5-7-9-16;1-4-7(5-2)6-3/h5-9,14,19H,3-4,10-13,15H2,1-2H3;4-6H2,1-3H3
InChIKeyPUMACRRPYCJKEV-UHFFFAOYSA-N
MW398.64 g/mol
LogP5.19
Rot. Bonds8

About 1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine

1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine (PubChem CID 69192957) has the molecular formula C25H42N4 and a molecular weight of 398.64 g/mol. Its IUPAC name is 1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine.

Molecular Properties

Compound Name1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine
PubChem CID69192957
Molecular FormulaC25H42N4
Molecular Weight398.64 g/mol
Exact Mass398.34
IUPAC Name1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine
SMILESCCN(CC)CC.CCc1cc(CC)n(C2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H27N3.C6H15N/c1-3-17-14-18(4-2)22(20-17)19-10-12-21(13-11-19)15-16-8-6-5-7-9-16;1-4-7(5-2)6-3/h5-9,14,19H,3-4,10-13,15H2,1-2H3;4-6H2,1-3H3
InChIKeyPUMACRRPYCJKEV-UHFFFAOYSA-N
XLogP5.19
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine?
The IUPAC name of 1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine (CID 69192957) is 1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine.
What is the SMILES notation for 1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine?
The canonical SMILES for 1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine is CCN(CC)CC.CCc1cc(CC)n(C2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine?
The InChIKey is PUMACRRPYCJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3.C6H15N/c1-3-17-14-18(4-2)22(20-17)19-10-12-21(13-11-19)15-16-8-6-5-7-9-16;1-4-7(5-2)6-3/h5-9,14,19H,3-4,10-13,15H2,1-2H3;4-6H2,1-3H3.
What are the key properties of 1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine?
1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine has a molecular weight of 398.64 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine is sourced from PubChem (CID 69192957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).