propyl 2-(1-methylpiperidin-4-yl)acetate

C11H21NO2 — CID 58281270

IUPACpropyl 2-(1-methylpiperidin-4-yl)acetate
SMILESCCCOC(=O)CC1CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-3-8-14-11(13)9-10-4-6-12(2)7-5-10/h10H,3-9H2,1-2H3
InChIKeyUWKFLXIPQCSOJG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds4

About propyl 2-(1-methylpiperidin-4-yl)acetate

propyl 2-(1-methylpiperidin-4-yl)acetate (PubChem CID 58281270) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propyl 2-(1-methylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(1-methylpiperidin-4-yl)acetate
PubChem CID58281270
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropyl 2-(1-methylpiperidin-4-yl)acetate
SMILESCCCOC(=O)CC1CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-3-8-14-11(13)9-10-4-6-12(2)7-5-10/h10H,3-9H2,1-2H3
InChIKeyUWKFLXIPQCSOJG-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

(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
propan-2-yl 2-(1-methylpiperidin-4-yl)acetate
CID 83983017
1-(1-methylpiperidin-4-yl)pentan-2-one
CID 58553181
propyl 4-cyclopropyl-3-oxobutanoate
CID 139840046
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
2-(1-methylpiperidin-4-yl)ethyl carbamate
CID 141210995
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391
ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
CID 167238016
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369

Frequently Asked Questions

What is the IUPAC name of propyl 2-(1-methylpiperidin-4-yl)acetate?
The IUPAC name of propyl 2-(1-methylpiperidin-4-yl)acetate (CID 58281270) is propyl 2-(1-methylpiperidin-4-yl)acetate.
What is the SMILES notation for propyl 2-(1-methylpiperidin-4-yl)acetate?
The canonical SMILES for propyl 2-(1-methylpiperidin-4-yl)acetate is CCCOC(=O)CC1CCN(C)CC1.
What is the InChIKey of propyl 2-(1-methylpiperidin-4-yl)acetate?
The InChIKey is UWKFLXIPQCSOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-8-14-11(13)9-10-4-6-12(2)7-5-10/h10H,3-9H2,1-2H3.
What are the key properties of propyl 2-(1-methylpiperidin-4-yl)acetate?
propyl 2-(1-methylpiperidin-4-yl)acetate 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 propyl 2-(1-methylpiperidin-4-yl)acetate is sourced from PubChem (CID 58281270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).