ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate

C14H27N3O2 — CID 783962

IUPACethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(CC)CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-3-15-9-11-16(12-10-15)13-5-7-17(8-6-13)14(18)19-4-2/h13H,3-12H2,1-2H3
InChIKeyYCJKAGGJNBSBQF-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.24
Rot. Bonds3

About ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate

ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate (PubChem CID 783962) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate
PubChem CID783962
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nameethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(CC)CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-3-15-9-11-16(12-10-15)13-5-7-17(8-6-13)14(18)19-4-2/h13H,3-12H2,1-2H3
InChIKeyYCJKAGGJNBSBQF-UHFFFAOYSA-N
XLogP1.24
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate (CID 783962) is ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCN(CC)CC2)CC1.
What is the InChIKey of ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate?
The InChIKey is YCJKAGGJNBSBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-15-9-11-16(12-10-15)13-5-7-17(8-6-13)14(18)19-4-2/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate?
ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethylpiperazin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 783962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).