1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine

C19H32N4 — CID 56710490

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESCCCn1cc(C2=CCN(CCC3CCCCN3C)CC2)cn1
InChIInChI=1S/C19H32N4/c1-3-10-23-16-18(15-20-23)17-7-12-22(13-8-17)14-9-19-6-4-5-11-21(19)2/h7,15-16,19H,3-6,8-14H2,1-2H3
InChIKeyBRCGPGWWAAFBOJ-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.26
Rot. Bonds6

About 1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine

1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine (PubChem CID 56710490) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
PubChem CID56710490
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESCCCn1cc(C2=CCN(CCC3CCCCN3C)CC2)cn1
InChIInChI=1S/C19H32N4/c1-3-10-23-16-18(15-20-23)17-7-12-22(13-8-17)14-9-19-6-4-5-11-21(19)2/h7,15-16,19H,3-6,8-14H2,1-2H3
InChIKeyBRCGPGWWAAFBOJ-UHFFFAOYSA-N
XLogP3.26
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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 1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine (CID 56710490) is 1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine is CCCn1cc(C2=CCN(CCC3CCCCN3C)CC2)cn1.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is BRCGPGWWAAFBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-3-10-23-16-18(15-20-23)17-7-12-22(13-8-17)14-9-19-6-4-5-11-21(19)2/h7,15-16,19H,3-6,8-14H2,1-2H3.
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine?
1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 316.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 56710490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).