5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine

C17H33NO — CID 176833334

IUPAC5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine
SMILESCOC1CCCCC1C1CC(C)NCC1C(C)(C)C
InChIInChI=1S/C17H33NO/c1-12-10-14(15(11-18-12)17(2,3)4)13-8-6-7-9-16(13)19-5/h12-16,18H,6-11H2,1-5H3
InChIKeyNRXJGSCYHSWIGB-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.85
Rot. Bonds2

About 5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine

5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine (PubChem CID 176833334) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine.

Molecular Properties

Compound Name5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine
PubChem CID176833334
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine
SMILESCOC1CCCCC1C1CC(C)NCC1C(C)(C)C
InChIInChI=1S/C17H33NO/c1-12-10-14(15(11-18-12)17(2,3)4)13-8-6-7-9-16(13)19-5/h12-16,18H,6-11H2,1-5H3
InChIKeyNRXJGSCYHSWIGB-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine?
The IUPAC name of 5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine (CID 176833334) is 5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine.
What is the SMILES notation for 5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine?
The canonical SMILES for 5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine is COC1CCCCC1C1CC(C)NCC1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine?
The InChIKey is NRXJGSCYHSWIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12-10-14(15(11-18-12)17(2,3)4)13-8-6-7-9-16(13)19-5/h12-16,18H,6-11H2,1-5H3.
What are the key properties of 5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine?
5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine has a molecular weight of 267.46 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(2-methoxycyclohexyl)-2-methylpiperidine is sourced from PubChem (CID 176833334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).