ethane;methyl 2-(1-propylpiperidin-4-yl)acetate

C13H27NO2 — CID 143432640

IUPACethane;methyl 2-(1-propylpiperidin-4-yl)acetate
SMILESCC.CCCN1CCC(CC(=O)OC)CC1
InChIInChI=1S/C11H21NO2.C2H6/c1-3-6-12-7-4-10(5-8-12)9-11(13)14-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyJTLOKUQQXUUYEY-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.70
Rot. Bonds4

About ethane;methyl 2-(1-propylpiperidin-4-yl)acetate

ethane;methyl 2-(1-propylpiperidin-4-yl)acetate (PubChem CID 143432640) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is ethane;methyl 2-(1-propylpiperidin-4-yl)acetate.

Molecular Properties

Compound Nameethane;methyl 2-(1-propylpiperidin-4-yl)acetate
PubChem CID143432640
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nameethane;methyl 2-(1-propylpiperidin-4-yl)acetate
SMILESCC.CCCN1CCC(CC(=O)OC)CC1
InChIInChI=1S/C11H21NO2.C2H6/c1-3-6-12-7-4-10(5-8-12)9-11(13)14-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyJTLOKUQQXUUYEY-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
methyl 2-[1-[methylidene(propyl)-λ4-sulfanyl]piperidin-4-yl]acetate
CID 58553185
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
[4-(2-methoxy-2-oxoethyl)piperidin-1-yl]methanesulfinate
CID 174934092
methyl 2-(1-hexanoylpiperidin-4-yl)acetate
CID 94830715
ethyl 3-(1-propylpiperidin-4-yl)propanoate
CID 125041797
ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
CID 167238016
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(1-propylpiperidin-4-yl)acetate?
The IUPAC name of ethane;methyl 2-(1-propylpiperidin-4-yl)acetate (CID 143432640) is ethane;methyl 2-(1-propylpiperidin-4-yl)acetate.
What is the SMILES notation for ethane;methyl 2-(1-propylpiperidin-4-yl)acetate?
The canonical SMILES for ethane;methyl 2-(1-propylpiperidin-4-yl)acetate is CC.CCCN1CCC(CC(=O)OC)CC1.
What is the InChIKey of ethane;methyl 2-(1-propylpiperidin-4-yl)acetate?
The InChIKey is JTLOKUQQXUUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C2H6/c1-3-6-12-7-4-10(5-8-12)9-11(13)14-2;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-(1-propylpiperidin-4-yl)acetate?
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate has a molecular weight of 229.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(1-propylpiperidin-4-yl)acetate is sourced from PubChem (CID 143432640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).