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

C13H24N2O3 — CID 54066901

IUPACethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C13H24N2O3/c1-2-18-13(17)15-7-3-11(4-8-15)14-9-5-12(16)6-10-14/h11-12,16H,2-10H2,1H3
InChIKeyMDPZMYGHAOJMFY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.06
Rot. Bonds2

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

ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 54066901) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
PubChem CID54066901
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C13H24N2O3/c1-2-18-13(17)15-7-3-11(4-8-15)14-9-5-12(16)6-10-14/h11-12,16H,2-10H2,1H3
InChIKeyMDPZMYGHAOJMFY-UHFFFAOYSA-N
XLogP1.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate (CID 54066901) is ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is MDPZMYGHAOJMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-18-13(17)15-7-3-11(4-8-15)14-9-5-12(16)6-10-14/h11-12,16H,2-10H2,1H3.
What are the key properties of ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 54066901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).