ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate

C20H22N2O2 — CID 2746154

IUPACethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C20H22N2O2/c1-2-24-20(23)22-13-11-21(12-14-22)19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,2,11-14H2,1H3
InChIKeySSAGRVCTRUDKJH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.53
Rot. Bonds2

About ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate

ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate (PubChem CID 2746154) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate
PubChem CID2746154
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Nameethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C20H22N2O2/c1-2-24-20(23)22-13-11-21(12-14-22)19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,2,11-14H2,1H3
InChIKeySSAGRVCTRUDKJH-UHFFFAOYSA-N
XLogP3.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate (CID 2746154) is ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate?
The InChIKey is SSAGRVCTRUDKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-24-20(23)22-13-11-21(12-14-22)19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,2,11-14H2,1H3.
What are the key properties of ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate?
ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate is sourced from PubChem (CID 2746154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).