(2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate

C21H40N2O2 — CID 166787892

IUPAC(2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OC(C)(C)CCC(C)C2CCCNC2)CC1
InChIInChI=1S/C21H40N2O2/c1-16(2)18-9-13-23(14-10-18)20(24)25-21(4,5)11-8-17(3)19-7-6-12-22-15-19/h16-19,22H,6-15H2,1-5H3
InChIKeyKEWYZMRDVJIEBY-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.69
Rot. Bonds6

About (2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate

(2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 166787892) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is (2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate
PubChem CID166787892
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name(2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OC(C)(C)CCC(C)C2CCCNC2)CC1
InChIInChI=1S/C21H40N2O2/c1-16(2)18-9-13-23(14-10-18)20(24)25-21(4,5)11-8-17(3)19-7-6-12-22-15-19/h16-19,22H,6-15H2,1-5H3
InChIKeyKEWYZMRDVJIEBY-UHFFFAOYSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of (2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate (CID 166787892) is (2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for (2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate is CC(C)C1CCN(C(=O)OC(C)(C)CCC(C)C2CCCNC2)CC1.
What is the InChIKey of (2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is KEWYZMRDVJIEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2/c1-16(2)18-9-13-23(14-10-18)20(24)25-21(4,5)11-8-17(3)19-7-6-12-22-15-19/h16-19,22H,6-15H2,1-5H3.
What are the key properties of (2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate?
(2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 352.56 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 166787892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).