ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate

C15H28N2O2 — CID 120898616

IUPACethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(CC2(C)CCNC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-19-14(18)10-13-4-8-17(9-5-13)12-15(2)6-7-16-11-15/h13,16H,3-12H2,1-2H3
InChIKeyXCJXWSVKWDPXHI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds5

About ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate

ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate (PubChem CID 120898616) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate
PubChem CID120898616
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(CC2(C)CCNC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-19-14(18)10-13-4-8-17(9-5-13)12-15(2)6-7-16-11-15/h13,16H,3-12H2,1-2H3
InChIKeyXCJXWSVKWDPXHI-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]ethanone
CID 120900089
2-cyclohexyl-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120903102
2-cyclopentyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
CID 120903296
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120901494
ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate
CID 120905656
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 120899327
N,N-diethyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide
CID 120897865
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
CID 167238016

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate (CID 120898616) is ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate is CCOC(=O)CC1CCN(CC2(C)CCNC2)CC1.
What is the InChIKey of ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate?
The InChIKey is XCJXWSVKWDPXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-19-14(18)10-13-4-8-17(9-5-13)12-15(2)6-7-16-11-15/h13,16H,3-12H2,1-2H3.
What are the key properties of ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate?
ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate has a molecular weight of 268.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 120898616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).