ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate

C12H18N2O2S — CID 783744

IUPACethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C12H18N2O2S/c1-2-16-12(15)14-7-5-13(6-8-14)10-11-4-3-9-17-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyVEQKLSXZXQMPRN-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.02
Rot. Bonds3

About ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate

ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 783744) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
PubChem CID783744
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nameethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C12H18N2O2S/c1-2-16-12(15)14-7-5-13(6-8-14)10-11-4-3-9-17-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyVEQKLSXZXQMPRN-UHFFFAOYSA-N
XLogP2.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
Ethyl 4-[2-(thiophen-2-ylmethylamino)acetyl]piperazine-1-carboxylate;oxalic acid
CID 11948915
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 762661
Tert-butyl (1-(thiophen-2-ylmethyl)piperidin-3-yl)carbamate
CID 46785877
(1-methylpiperidin-4-yl)methyl N-[(3-methylthiophen-2-yl)methyl]carbamate
CID 172437935
4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 11543233
1-{4-[(Thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
CID 60655566
Ethyl 4-(2-thienylcarbonyl)piperazinecarboxylate
CID 668931
Piperazine, 1-ethyl-4-(2-thienylmethyl)-(9CI)
CID 763721
(E)-ethyl 4-(3-(thiophen-2-yl)acryloyl)piperazine-1-carboxylate
CID 5796457
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate (CID 783744) is ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is VEQKLSXZXQMPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-16-12(15)14-7-5-13(6-8-14)10-11-4-3-9-17-11/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 783744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).