ethyl 1-propylpiperidine-4-carboxylate

C11H21NO2 — CID 21202791

IUPACethyl 1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C11H21NO2/c1-3-7-12-8-5-10(6-9-12)11(13)14-4-2/h10H,3-9H2,1-2H3
InChIKeyPFZMRZVBGLZEEV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds4

About ethyl 1-propylpiperidine-4-carboxylate

ethyl 1-propylpiperidine-4-carboxylate (PubChem CID 21202791) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 1-propylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-propylpiperidine-4-carboxylate
PubChem CID21202791
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C11H21NO2/c1-3-7-12-8-5-10(6-9-12)11(13)14-4-2/h10H,3-9H2,1-2H3
InChIKeyPFZMRZVBGLZEEV-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-piperidinecarboxylate
CID 70770
Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
2-(4-(Ethoxycarbonyl)piperidin-1-yl)acetic acid
CID 52903749
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403
4-Piperidinebutyric acid, methyl ester
CID 3047641
Ethyl 1-(2-chloroethyl)piperidine-4-carboxylate
CID 61287119
Ethyl 1-methyl-3-oxopiperidine-4-carboxylate hydrochloride
CID 129710415
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383

Frequently Asked Questions

What is the IUPAC name of ethyl 1-propylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-propylpiperidine-4-carboxylate (CID 21202791) is ethyl 1-propylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-propylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-propylpiperidine-4-carboxylate is CCCN1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-propylpiperidine-4-carboxylate?
The InChIKey is PFZMRZVBGLZEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-7-12-8-5-10(6-9-12)11(13)14-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 1-propylpiperidine-4-carboxylate?
ethyl 1-propylpiperidine-4-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propylpiperidine-4-carboxylate is sourced from PubChem (CID 21202791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).