ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate

C16H29NO2 — CID 115538019

IUPACethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C2CC(C)CC(C)C2)C1
InChIInChI=1S/C16H29NO2/c1-4-19-16(18)14-6-5-7-17(11-14)15-9-12(2)8-13(3)10-15/h12-15H,4-11H2,1-3H3/t12?,13?,14-,15?/m1/s1
InChIKeyXWVWKKTWFZQWDP-MIGSVPMKSA-N
MW267.41 g/mol
LogP3.09
Rot. Bonds3

About ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate

ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate (PubChem CID 115538019) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
PubChem CID115538019
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C2CC(C)CC(C)C2)C1
InChIInChI=1S/C16H29NO2/c1-4-19-16(18)14-6-5-7-17(11-14)15-9-12(2)8-13(3)10-15/h12-15H,4-11H2,1-3H3/t12?,13?,14-,15?/m1/s1
InChIKeyXWVWKKTWFZQWDP-MIGSVPMKSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
CID 12519345
ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
CID 113331181
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-3-carboxylate
CID 43291772
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
CID 63383254
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate (CID 115538019) is ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C2CC(C)CC(C)C2)C1.
What is the InChIKey of ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate?
The InChIKey is XWVWKKTWFZQWDP-MIGSVPMKSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-19-16(18)14-6-5-7-17(11-14)15-9-12(2)8-13(3)10-15/h12-15H,4-11H2,1-3H3/t12?,13?,14-,15?/m1/s1.
What are the key properties of ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate?
ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate is sourced from PubChem (CID 115538019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).