tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate

C22H35NO4 — CID 72640511

IUPACtert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCCC2CCCCC2)C1
InChIInChI=1S/C22H35NO4/c1-22(2,3)27-21(24)23-12-9-19(18-11-13-25-16-18)20(15-23)26-14-10-17-7-5-4-6-8-17/h11,13,16-17,19-20H,4-10,12,14-15H2,1-3H3
InChIKeyXCSAMXUMDBTFFX-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.36
Rot. Bonds5

About tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate

tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate (PubChem CID 72640511) has the molecular formula C22H35NO4 and a molecular weight of 377.53 g/mol. Its IUPAC name is tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
PubChem CID72640511
Molecular FormulaC22H35NO4
Molecular Weight377.53 g/mol
Exact Mass377.26
IUPAC Nametert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCCC2CCCCC2)C1
InChIInChI=1S/C22H35NO4/c1-22(2,3)27-21(24)23-12-9-19(18-11-13-25-16-18)20(15-23)26-14-10-17-7-5-4-6-8-17/h11,13,16-17,19-20H,4-10,12,14-15H2,1-3H3
InChIKeyXCSAMXUMDBTFFX-UHFFFAOYSA-N
XLogP5.36
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640505
tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate
CID 91221582
tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate
CID 69225070
tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 69224292
tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 59674744
tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate
CID 76520777
tert-butyl 4-[4-[2-(furan-3-carbonyloxy)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22126969
tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
CID 131227560
tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate
CID 97172143
3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid
CID 69224206
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 3-(2-aminoethyl)azepane-1-carboxylate
CID 83488042

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate (CID 72640511) is tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccoc2)C(OCCC2CCCCC2)C1.
What is the InChIKey of tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate?
The InChIKey is XCSAMXUMDBTFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO4/c1-22(2,3)27-21(24)23-12-9-19(18-11-13-25-16-18)20(15-23)26-14-10-17-7-5-4-6-8-17/h11,13,16-17,19-20H,4-10,12,14-15H2,1-3H3.
What are the key properties of tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate has a molecular weight of 377.53 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 72640511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).