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

C11H21NO2 — CID 83983017

IUPACpropan-2-yl 2-(1-methylpiperidin-4-yl)acetate
SMILESCC(C)OC(=O)CC1CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-9(2)14-11(13)8-10-4-6-12(3)7-5-10/h9-10H,4-8H2,1-3H3
InChIKeyIWXQDNZJGODTBA-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

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

propan-2-yl 2-(1-methylpiperidin-4-yl)acetate (PubChem CID 83983017) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propan-2-yl 2-(1-methylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-methylpiperidin-4-yl)acetate
PubChem CID83983017
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropan-2-yl 2-(1-methylpiperidin-4-yl)acetate
SMILESCC(C)OC(=O)CC1CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-9(2)14-11(13)8-10-4-6-12(3)7-5-10/h9-10H,4-8H2,1-3H3
InChIKeyIWXQDNZJGODTBA-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate
CID 58281328
propan-2-yl 2-(4-oxocyclohexyl)acetate
CID 167515528
propyl 2-(1-methylpiperidin-4-yl)acetate
CID 58281270
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate
CID 83983182
propan-2-yl 2-(3-hydroxycyclopentyl)acetate
CID 146448446
(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-methylpiperidin-4-yl)acetate?
The IUPAC name of propan-2-yl 2-(1-methylpiperidin-4-yl)acetate (CID 83983017) is propan-2-yl 2-(1-methylpiperidin-4-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(1-methylpiperidin-4-yl)acetate?
The canonical SMILES for propan-2-yl 2-(1-methylpiperidin-4-yl)acetate is CC(C)OC(=O)CC1CCN(C)CC1.
What is the InChIKey of propan-2-yl 2-(1-methylpiperidin-4-yl)acetate?
The InChIKey is IWXQDNZJGODTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)14-11(13)8-10-4-6-12(3)7-5-10/h9-10H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-(1-methylpiperidin-4-yl)acetate?
propan-2-yl 2-(1-methylpiperidin-4-yl)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-methylpiperidin-4-yl)acetate is sourced from PubChem (CID 83983017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).