ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate

C14H26N2O3 — CID 43792246

IUPACethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCC(O)C2)CC1
InChIInChI=1S/C14H26N2O3/c1-2-19-14(18)16-8-6-11(7-9-16)15-12-4-3-5-13(17)10-12/h11-13,15,17H,2-10H2,1H3
InChIKeyLTKNSTFIBMRVJJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.50
Rot. Bonds3

About ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate (PubChem CID 43792246) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
PubChem CID43792246
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCC(O)C2)CC1
InChIInChI=1S/C14H26N2O3/c1-2-19-14(18)16-8-6-11(7-9-16)15-12-4-3-5-13(17)10-12/h11-13,15,17H,2-10H2,1H3
InChIKeyLTKNSTFIBMRVJJ-UHFFFAOYSA-N
XLogP1.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(1R,3S)-3-ethylsulfanylcyclohexyl]amino]piperidine-1-carboxylate
CID 97056311
tert-butyl 4-[(3-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103981515
ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 112554499
ethyl 4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxylate
CID 103926013
ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate
CID 65046809
ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
CID 43791646
ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
CID 60899589
3-[(1-propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 97337654
ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate
CID 43792537
ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate
CID 84593584
3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 113260472

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate (CID 43792246) is ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CCCC(O)C2)CC1.
What is the InChIKey of ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate?
The InChIKey is LTKNSTFIBMRVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-19-14(18)16-8-6-11(7-9-16)15-12-4-3-5-13(17)10-12/h11-13,15,17H,2-10H2,1H3.
What are the key properties of ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 43792246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).