tert-butyl 1-propylpiperidine-4-carboxylate

C13H25NO2 — CID 123967709

IUPACtert-butyl 1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-5-8-14-9-6-11(7-10-14)12(15)16-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyOSTYWQPWJJALBG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl 1-propylpiperidine-4-carboxylate

tert-butyl 1-propylpiperidine-4-carboxylate (PubChem CID 123967709) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 1-propylpiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-propylpiperidine-4-carboxylate
PubChem CID123967709
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-5-8-14-9-6-11(7-10-14)12(15)16-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyOSTYWQPWJJALBG-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
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
Tert-butyl Piperidine-4-carboxylate
CID 1512676
[1-(2-Fluoroethyl)piperidin-4-yl]methyl butanoate
CID 10105300
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
4-Piperidinol, 1-butyl-4-methyl-, propionate, hydrochloride
CID 3048585
Ethyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate
CID 20754609
Piperidine-4-carboxylic acid tert-butyl ester hydrochloride
CID 42614227

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-propylpiperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-propylpiperidine-4-carboxylate (CID 123967709) is tert-butyl 1-propylpiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-propylpiperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-propylpiperidine-4-carboxylate is CCCN1CCC(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 1-propylpiperidine-4-carboxylate?
The InChIKey is OSTYWQPWJJALBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-8-14-9-6-11(7-10-14)12(15)16-13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 1-propylpiperidine-4-carboxylate?
tert-butyl 1-propylpiperidine-4-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-propylpiperidine-4-carboxylate is sourced from PubChem (CID 123967709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).