1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine

C18H27NO — CID 11500051

IUPAC1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine
SMILESCO[C@@H]1CCCC[C@]1(c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H27NO/c1-20-17-12-6-7-13-18(17,16-10-4-2-5-11-16)19-14-8-3-9-15-19/h2,4-5,10-11,17H,3,6-9,12-15H2,1H3/t17-,18-/m1/s1
InChIKeyFHUOFGBHISRHIG-QZTJIDSGSA-N
MW273.42 g/mol
LogP3.96
Rot. Bonds3

About 1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine

1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine (PubChem CID 11500051) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine.

Molecular Properties

Compound Name1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine
PubChem CID11500051
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine
SMILESCO[C@@H]1CCCC[C@]1(c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H27NO/c1-20-17-12-6-7-13-18(17,16-10-4-2-5-11-16)19-14-8-3-9-15-19/h2,4-5,10-11,17H,3,6-9,12-15H2,1H3/t17-,18-/m1/s1
InChIKeyFHUOFGBHISRHIG-QZTJIDSGSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2-diphenylcyclopropyl)piperidine
CID 86177466
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
2-methoxy-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 106873696
2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol
CID 106873775
methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate
CID 70277896
1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride
CID 134109106
[(1S,2S)-2-hydroxy-2-phenylcycloheptyl] acetate
CID 164678101
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
CID 46213709
N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline
CID 106872574
(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol
CID 71056439
3-phenyl-3-piperidin-1-ylcyclohexan-1-ol
CID 524773

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine?
The IUPAC name of 1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine (CID 11500051) is 1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine.
What is the SMILES notation for 1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine?
The canonical SMILES for 1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine is CO[C@@H]1CCCC[C@]1(c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine?
The InChIKey is FHUOFGBHISRHIG-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H27NO/c1-20-17-12-6-7-13-18(17,16-10-4-2-5-11-16)19-14-8-3-9-15-19/h2,4-5,10-11,17H,3,6-9,12-15H2,1H3/t17-,18-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine?
1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine has a molecular weight of 273.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methoxy-1-phenylcyclohexyl]piperidine is sourced from PubChem (CID 11500051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).