ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate

C14H27N3O3 — CID 2846651

IUPACethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C14H27N3O3/c1-2-20-14(19)17-5-3-13(4-6-17)16-9-7-15(8-10-16)11-12-18/h13,18H,2-12H2,1H3
InChIKeyMMKLTJUNCTUCRZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.22
Rot. Bonds4

About ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate (PubChem CID 2846651) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
PubChem CID2846651
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nameethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C14H27N3O3/c1-2-20-14(19)17-5-3-13(4-6-17)16-9-7-15(8-10-16)11-12-18/h13,18H,2-12H2,1H3
InChIKeyMMKLTJUNCTUCRZ-UHFFFAOYSA-N
XLogP0.22
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate (CID 2846651) is ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCN(CCO)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate?
The InChIKey is MMKLTJUNCTUCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-2-20-14(19)17-5-3-13(4-6-17)16-9-7-15(8-10-16)11-12-18/h13,18H,2-12H2,1H3.
What are the key properties of ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 2846651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).