propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate

C16H24N2O2 — CID 20754611

IUPACpropan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate
SMILESCC(C)OC(=O)C1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C16H24N2O2/c1-12(2)20-16(19)15-6-10-18(11-7-15)13(3)14-4-8-17-9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3
InChIKeyZDPBQZDMPQDXND-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.81
Rot. Bonds4

About propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate

propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate (PubChem CID 20754611) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate
PubChem CID20754611
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namepropan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate
SMILESCC(C)OC(=O)C1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C16H24N2O2/c1-12(2)20-16(19)15-6-10-18(11-7-15)13(3)14-4-8-17-9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3
InChIKeyZDPBQZDMPQDXND-UHFFFAOYSA-N
XLogP2.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate?
The IUPAC name of propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate (CID 20754611) is propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate.
What is the SMILES notation for propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate?
The canonical SMILES for propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate is CC(C)OC(=O)C1CCN(C(C)c2ccncc2)CC1.
What is the InChIKey of propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate?
The InChIKey is ZDPBQZDMPQDXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)20-16(19)15-6-10-18(11-7-15)13(3)14-4-8-17-9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3.
What are the key properties of propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate?
propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 20754611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).