ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate

C15H28N2O2 — CID 81468053

IUPACethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
SMILESCCOC(=O)CC1(N2CCCCC2)CC(C)N(C)C1
InChIInChI=1S/C15H28N2O2/c1-4-19-14(18)11-15(10-13(2)16(3)12-15)17-8-6-5-7-9-17/h13H,4-12H2,1-3H3
InChIKeySMHKVDWEKXIGNA-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds4

About ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate

ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate (PubChem CID 81468053) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
PubChem CID81468053
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
SMILESCCOC(=O)CC1(N2CCCCC2)CC(C)N(C)C1
InChIInChI=1S/C15H28N2O2/c1-4-19-14(18)11-15(10-13(2)16(3)12-15)17-8-6-5-7-9-17/h13H,4-12H2,1-3H3
InChIKeySMHKVDWEKXIGNA-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(azepan-1-yl)-1,5-dimethylpyrrolidin-3-yl]acetic acid
CID 81467227
ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
CID 103565026
ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
CID 64526459
ethyl 2-[3-(azepan-1-yl)oxan-3-yl]acetate
CID 64528384
ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
CID 114820573
ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate
CID 65050126
ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate
CID 106664184
ethyl 2-(3-pyrrolidin-1-ylthiolan-3-yl)acetate
CID 64529167
ethyl 2-[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]acetate
CID 79862178
ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
CID 65422517
ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate
CID 64755856

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate?
The IUPAC name of ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate (CID 81468053) is ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate is CCOC(=O)CC1(N2CCCCC2)CC(C)N(C)C1.
What is the InChIKey of ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate?
The InChIKey is SMHKVDWEKXIGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-19-14(18)11-15(10-13(2)16(3)12-15)17-8-6-5-7-9-17/h13H,4-12H2,1-3H3.
What are the key properties of ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate?
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate has a molecular weight of 268.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate is sourced from PubChem (CID 81468053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).