[1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C19H30N4O2 — CID 90351266

IUPAC[1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-15(2)21-11-13-23(14-12-21)19(24)25-17-7-9-22(10-8-17)18-6-4-5-16(3)20-18/h4-6,15,17H,7-14H2,1-3H3
InChIKeyCUERVFDZKSCHFO-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.52
Rot. Bonds3

About [1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 90351266) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID90351266
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-15(2)21-11-13-23(14-12-21)19(24)25-17-7-9-22(10-8-17)18-6-4-5-16(3)20-18/h4-6,15,17H,7-14H2,1-3H3
InChIKeyCUERVFDZKSCHFO-UHFFFAOYSA-N
XLogP2.52
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 90351266) is [1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is Cc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1.
What is the InChIKey of [1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is CUERVFDZKSCHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(2)21-11-13-23(14-12-21)19(24)25-17-7-9-22(10-8-17)18-6-4-5-16(3)20-18/h4-6,15,17H,7-14H2,1-3H3.
What are the key properties of [1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 346.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 90351266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).