(3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate

C15H27NO3 — CID 114430087

IUPAC(3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate
SMILESCCC1CCNC(C(=O)OC2CCCC(OC)C2)C1
InChIInChI=1S/C15H27NO3/c1-3-11-7-8-16-14(9-11)15(17)19-13-6-4-5-12(10-13)18-2/h11-14,16H,3-10H2,1-2H3
InChIKeyNMXLJZBDCXCGBG-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.27
Rot. Bonds4

About (3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate

(3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate (PubChem CID 114430087) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate
PubChem CID114430087
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate
SMILESCCC1CCNC(C(=O)OC2CCCC(OC)C2)C1
InChIInChI=1S/C15H27NO3/c1-3-11-7-8-16-14(9-11)15(17)19-13-6-4-5-12(10-13)18-2/h11-14,16H,3-10H2,1-2H3
InChIKeyNMXLJZBDCXCGBG-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-methylpiperidine-2-carboxylate
CID 15697772
Ethyl (2S,4S)-4-Methylpipecolate
CID 15697773
Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate
CID 10313307
rel-Ethyl (2R,4S)-4-methyl-2-piperidinecarboxylate
CID 15697774
2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2S-cis)-
CID 9920488
Butyl 4-methylpiperidine-2-carboxylate
CID 13954142
Tert-butyl 4-methylpiperidine-2-carboxylate
CID 19049828
Propan-2-yl 4-propylpiperidine-2-carboxylate
CID 20089050
Propan-2-yl 4-methylpiperidine-2-carboxylate
CID 20089082
Propan-2-yl 4-ethylpiperidine-2-carboxylate
CID 20089111
Ethyl 4-(propan-2-yl)piperidine-2-carboxylate
CID 20369822
tert-butyl (2R)-4-methylpiperidine-2-carboxylate
CID 22855823

Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate?
The IUPAC name of (3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate (CID 114430087) is (3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate.
What is the SMILES notation for (3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate?
The canonical SMILES for (3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate is CCC1CCNC(C(=O)OC2CCCC(OC)C2)C1.
What is the InChIKey of (3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate?
The InChIKey is NMXLJZBDCXCGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-11-7-8-16-14(9-11)15(17)19-13-6-4-5-12(10-13)18-2/h11-14,16H,3-10H2,1-2H3.
What are the key properties of (3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate?
(3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 4-ethylpiperidine-2-carboxylate is sourced from PubChem (CID 114430087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).