tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate

C22H42N2O2 — CID 21018697

IUPACtert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate
SMILESCCN(CC)CCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H42N2O2/c1-6-23(7-2)16-13-22(19-11-9-8-10-12-19)14-17-24(18-15-22)20(25)26-21(3,4)5/h19H,6-18H2,1-5H3
InChIKeyYQWRUVOFBXKAEE-UHFFFAOYSA-N
MW366.59 g/mol
LogP5.32
Rot. Bonds6

About tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate (PubChem CID 21018697) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate
PubChem CID21018697
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC Nametert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate
SMILESCCN(CC)CCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H42N2O2/c1-6-23(7-2)16-13-22(19-11-9-8-10-12-19)14-17-24(18-15-22)20(25)26-21(3,4)5/h19H,6-18H2,1-5H3
InChIKeyYQWRUVOFBXKAEE-UHFFFAOYSA-N
XLogP5.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate (CID 21018697) is tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate is CCN(CC)CCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is YQWRUVOFBXKAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-6-23(7-2)16-13-22(19-11-9-8-10-12-19)14-17-24(18-15-22)20(25)26-21(3,4)5/h19H,6-18H2,1-5H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 366.59 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-[2-(diethylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 21018697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).