ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate

C15H27NO3 — CID 169226189

IUPACethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCC(CO)CC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-19-15(18)13-7-9-16(10-8-13)14-5-3-12(11-17)4-6-14/h12-14,17H,2-11H2,1H3
InChIKeyKMCMRFQVLKESOS-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.81
Rot. Bonds4

About ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate

ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate (PubChem CID 169226189) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate
PubChem CID169226189
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCC(CO)CC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-19-15(18)13-7-9-16(10-8-13)14-5-3-12(11-17)4-6-14/h12-14,17H,2-11H2,1H3
InChIKeyKMCMRFQVLKESOS-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate (CID 169226189) is ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CCC(CO)CC2)CC1.
What is the InChIKey of ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate?
The InChIKey is KMCMRFQVLKESOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-19-15(18)13-7-9-16(10-8-13)14-5-3-12(11-17)4-6-14/h12-14,17H,2-11H2,1H3.
What are the key properties of ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate?
ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(hydroxymethyl)cyclohexyl]piperidine-4-carboxylate is sourced from PubChem (CID 169226189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).