ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate

C14H25NO3 — CID 171740310

IUPACethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCC(O)CC2)CC1
InChIInChI=1S/C14H25NO3/c1-2-18-14(17)11-7-9-15(10-8-11)12-3-5-13(16)6-4-12/h11-13,16H,2-10H2,1H3
InChIKeyNQYFZGQJILFMKX-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.57
Rot. Bonds3

About ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate

ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate (PubChem CID 171740310) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate
PubChem CID171740310
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCC(O)CC2)CC1
InChIInChI=1S/C14H25NO3/c1-2-18-14(17)11-7-9-15(10-8-11)12-3-5-13(16)6-4-12/h11-13,16H,2-10H2,1H3
InChIKeyNQYFZGQJILFMKX-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate (CID 171740310) is ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CCC(O)CC2)CC1.
What is the InChIKey of ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate?
The InChIKey is NQYFZGQJILFMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-18-14(17)11-7-9-15(10-8-11)12-3-5-13(16)6-4-12/h11-13,16H,2-10H2,1H3.
What are the key properties of ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate?
ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-hydroxycyclohexyl)piperidine-4-carboxylate is sourced from PubChem (CID 171740310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).