propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate

C14H26N2O2 — CID 23117201

IUPACpropan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate
SMILESCC(C)OC(=O)C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11(2)18-14(17)12-5-9-16(10-6-12)13-3-7-15-8-4-13/h11-13,15H,3-10H2,1-2H3
InChIKeyAMXLPSHDQXCZDW-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds3

About propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate

propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate (PubChem CID 23117201) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate
PubChem CID23117201
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namepropan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate
SMILESCC(C)OC(=O)C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11(2)18-14(17)12-5-9-16(10-6-12)13-3-7-15-8-4-13/h11-13,15H,3-10H2,1-2H3
InChIKeyAMXLPSHDQXCZDW-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate?
The IUPAC name of propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate (CID 23117201) is propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate.
What is the SMILES notation for propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate?
The canonical SMILES for propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate is CC(C)OC(=O)C1CCN(C2CCNCC2)CC1.
What is the InChIKey of propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate?
The InChIKey is AMXLPSHDQXCZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)18-14(17)12-5-9-16(10-6-12)13-3-7-15-8-4-13/h11-13,15H,3-10H2,1-2H3.
What are the key properties of propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate?
propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-piperidin-4-ylpiperidine-4-carboxylate is sourced from PubChem (CID 23117201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).