2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate

C12H23N3O2 — CID 515568

IUPAC2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCCN2CCCC2)CC1
InChIInChI=1S/C12H23N3O2/c1-13-6-8-15(9-7-13)12(16)17-11-10-14-4-2-3-5-14/h2-11H2,1H3
InChIKeyYTQMYCWJJZHGBM-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.47
Rot. Bonds3

About 2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate

2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate (PubChem CID 515568) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate
PubChem CID515568
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCCN2CCCC2)CC1
InChIInChI=1S/C12H23N3O2/c1-13-6-8-15(9-7-13)12(16)17-11-10-14-4-2-3-5-14/h2-11H2,1H3
InChIKeyYTQMYCWJJZHGBM-UHFFFAOYSA-N
XLogP0.47
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester
CID 199462
Ethyl 4-butylpiperazine-1-carboxylate
CID 116092
1-Piperidinecarboxylic acid, diethylaminoethyl ester
CID 410183
1-Piperazinecarboxylic acid, 4-(2-(1-pyrrolidinyl)ethyl)-, ethyl ester, hydrochloride
CID 212404
2-Oxazolidinone, 5-(1-piperidinylmethyl)-3-propyl-, monohydrobromide
CID 3040557
3-(3-(Piperidin-1-yl)propyl)-1,3-oxazolidin-2-one
CID 17785481
Ethyl 4-propylpiperazine-1-carboxylate
CID 116099
3-[3-(Dimethylamino)propyl]-1,3-oxazolidin-2-one
CID 145913615
3-(3-(Diethylamino)propyl)-1,3-oxazolidin-2-one
CID 145913727
2-Diethylaminoethyl 4-ethylpiperazine-1-carboxylate
CID 515542
2-Diethylaminoethyl 4-isopropylpiperazine-1-carboxylate
CID 515543
2-Diethylaminoethyl 4-butylpiperazine-1-carboxylate
CID 515545

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate (CID 515568) is 2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OCCN2CCCC2)CC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is YTQMYCWJJZHGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-13-6-8-15(9-7-13)12(16)17-11-10-14-4-2-3-5-14/h2-11H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate?
2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).