ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate

C17H31NO4 — CID 27211341

IUPACethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C[C@H](O)COC2CCCCC2)CC1
InChIInChI=1S/C17H31NO4/c1-2-21-17(20)14-8-10-18(11-9-14)12-15(19)13-22-16-6-4-3-5-7-16/h14-16,19H,2-13H2,1H3/t15-/m0/s1
InChIKeyKINGSRHOXYMOOO-HNNXBMFYSA-N
MW313.44 g/mol
LogP1.97
Rot. Bonds7

About ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate

ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate (PubChem CID 27211341) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate
PubChem CID27211341
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Nameethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C[C@H](O)COC2CCCCC2)CC1
InChIInChI=1S/C17H31NO4/c1-2-21-17(20)14-8-10-18(11-9-14)12-15(19)13-22-16-6-4-3-5-7-16/h14-16,19H,2-13H2,1H3/t15-/m0/s1
InChIKeyKINGSRHOXYMOOO-HNNXBMFYSA-N
XLogP1.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate (CID 27211341) is ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C[C@H](O)COC2CCCCC2)CC1.
What is the InChIKey of ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate?
The InChIKey is KINGSRHOXYMOOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H31NO4/c1-2-21-17(20)14-8-10-18(11-9-14)12-15(19)13-22-16-6-4-3-5-7-16/h14-16,19H,2-13H2,1H3/t15-/m0/s1.
What are the key properties of ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate?
ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate has a molecular weight of 313.44 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2S)-3-cyclohexyloxy-2-hydroxypropyl]piperidine-4-carboxylate is sourced from PubChem (CID 27211341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).