propan-2-yl 1-propylpiperidine-3-carboxylate

C12H23NO2 — CID 83982857

IUPACpropan-2-yl 1-propylpiperidine-3-carboxylate
SMILESCCCN1CCCC(C(=O)OC(C)C)C1
InChIInChI=1S/C12H23NO2/c1-4-7-13-8-5-6-11(9-13)12(14)15-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyAOBBDGCXHKPUGR-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds4

About propan-2-yl 1-propylpiperidine-3-carboxylate

propan-2-yl 1-propylpiperidine-3-carboxylate (PubChem CID 83982857) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is propan-2-yl 1-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-propylpiperidine-3-carboxylate
PubChem CID83982857
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namepropan-2-yl 1-propylpiperidine-3-carboxylate
SMILESCCCN1CCCC(C(=O)OC(C)C)C1
InChIInChI=1S/C12H23NO2/c1-4-7-13-8-5-6-11(9-13)12(14)15-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyAOBBDGCXHKPUGR-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-propylpiperidine-3-carboxylate?
The IUPAC name of propan-2-yl 1-propylpiperidine-3-carboxylate (CID 83982857) is propan-2-yl 1-propylpiperidine-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-propylpiperidine-3-carboxylate?
The canonical SMILES for propan-2-yl 1-propylpiperidine-3-carboxylate is CCCN1CCCC(C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 1-propylpiperidine-3-carboxylate?
The InChIKey is AOBBDGCXHKPUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-7-13-8-5-6-11(9-13)12(14)15-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of propan-2-yl 1-propylpiperidine-3-carboxylate?
propan-2-yl 1-propylpiperidine-3-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-propylpiperidine-3-carboxylate is sourced from PubChem (CID 83982857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).