propyl piperidine-4-carboxylate

C9H17NO2 — CID 15518518

IUPACpropyl piperidine-4-carboxylate
SMILESCCCOC(=O)C1CCNCC1
InChIInChI=1S/C9H17NO2/c1-2-7-12-9(11)8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
InChIKeyLBMGLZXAYZYESB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About propyl piperidine-4-carboxylate

propyl piperidine-4-carboxylate (PubChem CID 15518518) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is propyl piperidine-4-carboxylate.

Molecular Properties

Compound Namepropyl piperidine-4-carboxylate
PubChem CID15518518
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepropyl piperidine-4-carboxylate
SMILESCCCOC(=O)C1CCNCC1
InChIInChI=1S/C9H17NO2/c1-2-7-12-9(11)8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
InChIKeyLBMGLZXAYZYESB-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-piperidinecarboxylate
CID 70770
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl isonipecotate
CID 424914
Tert-butyl Piperidine-4-carboxylate
CID 1512676
Ethyl 2-(piperidin-4-yl)acetate
CID 2760465
Ethyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 19361804
Ethyl 3-oxopiperidine-4-carboxylate hydrochloride
CID 3018364
Ethyl 4-cyanopiperidine-4-carboxylate
CID 14294359
Piperidin-1-ium-4-carboxylate
CID 6931652
Ethyl 2-(piperidin-3-yl)acetate
CID 2760464
ethyl 2-[(3R)-piperidin-3-yl]acetate
CID 7161133
rac-methyl (3R,4R)-3-methylpiperidine-4-carboxylate hydrochloride
CID 14869355

Frequently Asked Questions

What is the IUPAC name of propyl piperidine-4-carboxylate?
The IUPAC name of propyl piperidine-4-carboxylate (CID 15518518) is propyl piperidine-4-carboxylate.
What is the SMILES notation for propyl piperidine-4-carboxylate?
The canonical SMILES for propyl piperidine-4-carboxylate is CCCOC(=O)C1CCNCC1.
What is the InChIKey of propyl piperidine-4-carboxylate?
The InChIKey is LBMGLZXAYZYESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-7-12-9(11)8-3-5-10-6-4-8/h8,10H,2-7H2,1H3.
What are the key properties of propyl piperidine-4-carboxylate?
propyl piperidine-4-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl piperidine-4-carboxylate is sourced from PubChem (CID 15518518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).