ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate

C14H27N3O2 — CID 784581

IUPACethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCN(CC)CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-3-15-7-5-13(6-8-15)16-9-11-17(12-10-16)14(18)19-4-2/h13H,3-12H2,1-2H3
InChIKeyDNGMWYIPKVXQNS-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.24
Rot. Bonds3

About ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate

ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate (PubChem CID 784581) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate
PubChem CID784581
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nameethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCN(CC)CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-3-15-7-5-13(6-8-15)16-9-11-17(12-10-16)14(18)19-4-2/h13H,3-12H2,1-2H3
InChIKeyDNGMWYIPKVXQNS-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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Related Compounds

Ethyl 4-(butan-2-yl)piperazine-1-carboxylate
CID 115502
1-Piperazinecarboxylic acid, 4-(2-(cyclohexylisopropylamino)ethyl)-, ethyl ester, hydrochloride
CID 212398
Tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate
CID 44313554
Cambridge id 5453405
CID 783862
2-(1-Piperidyl)ethyl 4-methylpiperazine-1-carboxylate
CID 515566
[1-Methyl-2-(1-piperidyl)ethyl] 4-methylpiperazine-1-carboxylate
CID 515583
(1-Methyl-4-piperidyl) 4-methylpiperazine-1-carboxylate
CID 515589
tert-Butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
CID 18630813
Ethyl 4-isocyanopiperidine-1-carboxylate
CID 55255300
Ethyl 4-[4-(2-hydroxyethyl)-1-piperazinyl]-1-piperidinecarboxylate
CID 2846651
butyl (9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
CID 98742978
1,1-Dimethylethyl 4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinecarboxylate
CID 59452688

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate (CID 784581) is ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C2CCN(CC)CC2)CC1.
What is the InChIKey of ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate?
The InChIKey is DNGMWYIPKVXQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-15-7-5-13(6-8-15)16-9-11-17(12-10-16)14(18)19-4-2/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 4-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(1-ethylpiperidin-4-yl)piperazine-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-(1-ethylpiperidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 784581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).