ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate

C15H27NO3 — CID 113331181

IUPACethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C2CCCC(OC)C2)C1
InChIInChI=1S/C15H27NO3/c1-3-19-15(17)12-6-5-9-16(11-12)13-7-4-8-14(10-13)18-2/h12-14H,3-11H2,1-2H3/t12-,13?,14?/m1/s1
InChIKeyLDEWVUVLFAPLJT-IYXRBSQSSA-N
MW269.38 g/mol
LogP2.22
Rot. Bonds4

About ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate

ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate (PubChem CID 113331181) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
PubChem CID113331181
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C2CCCC(OC)C2)C1
InChIInChI=1S/C15H27NO3/c1-3-19-15(17)12-6-5-9-16(11-12)13-7-4-8-14(10-13)18-2/h12-14H,3-11H2,1-2H3/t12-,13?,14?/m1/s1
InChIKeyLDEWVUVLFAPLJT-IYXRBSQSSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
CID 115538019
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
CID 12519345
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
CID 66291270
chloromethyl 3-methoxycyclohexane-1-carboxylate
CID 88996258
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 102966602
(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate
CID 121456446

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate (CID 113331181) is ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C2CCCC(OC)C2)C1.
What is the InChIKey of ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate?
The InChIKey is LDEWVUVLFAPLJT-IYXRBSQSSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-19-15(17)12-6-5-9-16(11-12)13-7-4-8-14(10-13)18-2/h12-14H,3-11H2,1-2H3/t12-,13?,14?/m1/s1.
What are the key properties of ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate?
ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate is sourced from PubChem (CID 113331181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).