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

C21H37NO3 — CID 58602479

IUPACtert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC2(O)CC2)(C2CCCCC2)CC1
InChIInChI=1S/C21H37NO3/c1-19(2,3)25-18(23)22-15-13-20(14-16-22,9-10-21(24)11-12-21)17-7-5-4-6-8-17/h17,24H,4-16H2,1-3H3
InChIKeyBYJGNSNEAXDAPH-UHFFFAOYSA-N
MW351.53 g/mol
LogP4.89
Rot. Bonds4

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

tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate (PubChem CID 58602479) has the molecular formula C21H37NO3 and a molecular weight of 351.53 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate
PubChem CID58602479
Molecular FormulaC21H37NO3
Molecular Weight351.53 g/mol
Exact Mass351.28
IUPAC Nametert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC2(O)CC2)(C2CCCCC2)CC1
InChIInChI=1S/C21H37NO3/c1-19(2,3)25-18(23)22-15-13-20(14-16-22,9-10-21(24)11-12-21)17-7-5-4-6-8-17/h17,24H,4-16H2,1-3H3
InChIKeyBYJGNSNEAXDAPH-UHFFFAOYSA-N
XLogP4.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate (CID 58602479) is tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCC2(O)CC2)(C2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate?
The InChIKey is BYJGNSNEAXDAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO3/c1-19(2,3)25-18(23)22-15-13-20(14-16-22,9-10-21(24)11-12-21)17-7-5-4-6-8-17/h17,24H,4-16H2,1-3H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate has a molecular weight of 351.53 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-[2-(1-hydroxycyclopropyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 58602479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).