4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine

C19H32N4 — CID 56700573

IUPAC4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine
SMILESCCCCn1cc(C2=CCN(CCN3CCCCC3)CC2)cn1
InChIInChI=1S/C19H32N4/c1-2-3-11-23-17-19(16-20-23)18-7-12-22(13-8-18)15-14-21-9-5-4-6-10-21/h7,16-17H,2-6,8-15H2,1H3
InChIKeyPTEVHCGHKBNYQB-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.26
Rot. Bonds7

About 4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine

4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 56700573) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine
PubChem CID56700573
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine
SMILESCCCCn1cc(C2=CCN(CCN3CCCCC3)CC2)cn1
InChIInChI=1S/C19H32N4/c1-2-3-11-23-17-19(16-20-23)18-7-12-22(13-8-18)15-14-21-9-5-4-6-10-21/h7,16-17H,2-6,8-15H2,1H3
InChIKeyPTEVHCGHKBNYQB-UHFFFAOYSA-N
XLogP3.26
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine (CID 56700573) is 4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine is CCCCn1cc(C2=CCN(CCN3CCCCC3)CC2)cn1.
What is the InChIKey of 4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is PTEVHCGHKBNYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-2-3-11-23-17-19(16-20-23)18-7-12-22(13-8-18)15-14-21-9-5-4-6-10-21/h7,16-17H,2-6,8-15H2,1H3.
What are the key properties of 4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine?
4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 316.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 56700573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).