ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate

C19H35NO4 — CID 143801911

IUPACethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate
SMILESCC.CC[C@H]1CCC[C@@H](C)N1C(=O)OC1CCC(C(=O)OC)CC1
InChIInChI=1S/C17H29NO4.C2H6/c1-4-14-7-5-6-12(2)18(14)17(20)22-15-10-8-13(9-11-15)16(19)21-3;1-2/h12-15H,4-11H2,1-3H3;1-2H3/t12-,13?,14+,15?;/m1./s1
InChIKeyYMZWKHNSIPCPDJ-CEUYFYNXSA-N
MW341.49 g/mol
LogP4.53
Rot. Bonds3

About ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate

ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate (PubChem CID 143801911) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate
PubChem CID143801911
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Nameethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate
SMILESCC.CC[C@H]1CCC[C@@H](C)N1C(=O)OC1CCC(C(=O)OC)CC1
InChIInChI=1S/C17H29NO4.C2H6/c1-4-14-7-5-6-12(2)18(14)17(20)22-15-10-8-13(9-11-15)16(19)21-3;1-2/h12-15H,4-11H2,1-3H3;1-2H3/t12-,13?,14+,15?;/m1./s1
InChIKeyYMZWKHNSIPCPDJ-CEUYFYNXSA-N
XLogP4.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate?
The IUPAC name of ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate (CID 143801911) is ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate.
What is the SMILES notation for ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate?
The canonical SMILES for ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate is CC.CC[C@H]1CCC[C@@H](C)N1C(=O)OC1CCC(C(=O)OC)CC1.
What is the InChIKey of ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate?
The InChIKey is YMZWKHNSIPCPDJ-CEUYFYNXSA-N. The full InChI is InChI=1S/C17H29NO4.C2H6/c1-4-14-7-5-6-12(2)18(14)17(20)22-15-10-8-13(9-11-15)16(19)21-3;1-2/h12-15H,4-11H2,1-3H3;1-2H3/t12-,13?,14+,15?;/m1./s1.
What are the key properties of ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate?
ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate has a molecular weight of 341.49 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate is sourced from PubChem (CID 143801911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).