(1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate

C18H28N4O2 — CID 89487863

IUPAC(1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15(2)20-11-13-22(14-12-20)18(23)24-17-5-9-21(10-6-17)16-3-7-19-8-4-16/h3-4,7-8,15,17H,5-6,9-14H2,1-2H3
InChIKeyZDENUZWSJXPOHI-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.21
Rot. Bonds3

About (1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate

(1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487863) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487863
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15(2)20-11-13-22(14-12-20)18(23)24-17-5-9-21(10-6-17)16-3-7-19-8-4-16/h3-4,7-8,15,17H,5-6,9-14H2,1-2H3
InChIKeyZDENUZWSJXPOHI-UHFFFAOYSA-N
XLogP2.21
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of (1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate (CID 89487863) is (1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for (1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for (1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of (1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is ZDENUZWSJXPOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(2)20-11-13-22(14-12-20)18(23)24-17-5-9-21(10-6-17)16-3-7-19-8-4-16/h3-4,7-8,15,17H,5-6,9-14H2,1-2H3.
What are the key properties of (1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate?
(1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).