(1,4-dimethylpiperidin-4-yl) acetate

C9H17NO2 — CID 154194945

IUPAC(1,4-dimethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1(C)CCN(C)CC1
InChIInChI=1S/C9H17NO2/c1-8(11)12-9(2)4-6-10(3)7-5-9/h4-7H2,1-3H3
InChIKeyOFBWGKYFRCDLPP-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds1

About (1,4-dimethylpiperidin-4-yl) acetate

(1,4-dimethylpiperidin-4-yl) acetate (PubChem CID 154194945) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1,4-dimethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1,4-dimethylpiperidin-4-yl) acetate
PubChem CID154194945
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1,4-dimethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1(C)CCN(C)CC1
InChIInChI=1S/C9H17NO2/c1-8(11)12-9(2)4-6-10(3)7-5-9/h4-7H2,1-3H3
InChIKeyOFBWGKYFRCDLPP-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Piperidinol, 1,4-dibutyl-, acetate, hydrochloride
CID 3048620
(3-Methyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate
CID 2840186
4-Piperidinol, 1-butyl-4-methyl-, propionate, hydrochloride
CID 3048585
4-Acetoxy-1-azabicyclo[2.2.2]octane
CID 141291
(3-Ethyl-6-piperidin-1-ylhex-4-yn-3-yl) acetate
CID 754759
(4-Ethynyl-1,3,5-trimethylpiperidin-4-yl) acetate
CID 3106172
Tert-butyl 3-piperidin-1-ylpropanoate
CID 68196441
Tert-butyl 3-(3-fluoropiperidin-1-yl)propanoate
CID 172341286
Acetic acid, 1-isopropyl-1-methyl-4-(1-piperidyl)-2-butynyl ester
CID 538256
2-Methyl-7-piperidino-3,5-heptadiyn-2-ol acetate
CID 125489173
(4-Acetyl-1-methylpiperidin-4-yl) propanoate
CID 57434
(1-Butyl-4-methylpiperidin-4-yl) propanoate
CID 3048586

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperidin-4-yl) acetate?
The IUPAC name of (1,4-dimethylpiperidin-4-yl) acetate (CID 154194945) is (1,4-dimethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1,4-dimethylpiperidin-4-yl) acetate?
The canonical SMILES for (1,4-dimethylpiperidin-4-yl) acetate is CC(=O)OC1(C)CCN(C)CC1.
What is the InChIKey of (1,4-dimethylpiperidin-4-yl) acetate?
The InChIKey is OFBWGKYFRCDLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(11)12-9(2)4-6-10(3)7-5-9/h4-7H2,1-3H3.
What are the key properties of (1,4-dimethylpiperidin-4-yl) acetate?
(1,4-dimethylpiperidin-4-yl) acetate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperidin-4-yl) acetate is sourced from PubChem (CID 154194945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).