1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine

C18H33NO — CID 129159960

IUPAC1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine
SMILESC[C@@H]1CCC(C2CCC(C3CCN(C)CC3)CC2)OC1
InChIInChI=1S/C18H33NO/c1-14-3-8-18(20-13-14)17-6-4-15(5-7-17)16-9-11-19(2)12-10-16/h14-18H,3-13H2,1-2H3/t14-,15?,17?,18?/m1/s1
InChIKeyUKGIKURSEUSTRV-LOEGYKASSA-N
MW279.47 g/mol
LogP3.95
Rot. Bonds2

About 1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine

1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine (PubChem CID 129159960) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine
PubChem CID129159960
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine
SMILESC[C@@H]1CCC(C2CCC(C3CCN(C)CC3)CC2)OC1
InChIInChI=1S/C18H33NO/c1-14-3-8-18(20-13-14)17-6-4-15(5-7-17)16-9-11-19(2)12-10-16/h14-18H,3-13H2,1-2H3/t14-,15?,17?,18?/m1/s1
InChIKeyUKGIKURSEUSTRV-LOEGYKASSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine?
The IUPAC name of 1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine (CID 129159960) is 1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine.
What is the SMILES notation for 1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine?
The canonical SMILES for 1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine is C[C@@H]1CCC(C2CCC(C3CCN(C)CC3)CC2)OC1.
What is the InChIKey of 1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine?
The InChIKey is UKGIKURSEUSTRV-LOEGYKASSA-N. The full InChI is InChI=1S/C18H33NO/c1-14-3-8-18(20-13-14)17-6-4-15(5-7-17)16-9-11-19(2)12-10-16/h14-18H,3-13H2,1-2H3/t14-,15?,17?,18?/m1/s1.
What are the key properties of 1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine?
1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine has a molecular weight of 279.47 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine is sourced from PubChem (CID 129159960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).