1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine

C20H32N2O3 — CID 16737718

IUPAC1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine
SMILESCOc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCNCC2)cc1OC
InChIInChI=1S/C20H32N2O3/c1-23-19-8-7-16(15-20(19)24-2)9-14-25-18-6-4-3-5-17(18)22-12-10-21-11-13-22/h7-8,15,17-18,21H,3-6,9-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyHNDXSQDAAHOVRN-QZTJIDSGSA-N
MW348.49 g/mol
LogP2.48
Rot. Bonds7

About 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine

1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine (PubChem CID 16737718) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine.

Molecular Properties

Compound Name1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine
PubChem CID16737718
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine
SMILESCOc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCNCC2)cc1OC
InChIInChI=1S/C20H32N2O3/c1-23-19-8-7-16(15-20(19)24-2)9-14-25-18-6-4-3-5-17(18)22-12-10-21-11-13-22/h7-8,15,17-18,21H,3-6,9-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyHNDXSQDAAHOVRN-QZTJIDSGSA-N
XLogP2.48
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidine
CID 16735227
(3R)-1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11268116
(3R)-1-[(1R,2S)-2-[2-[3,4-di((113C)methoxy)phenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11639643
1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 59679744
(3R)-1-[(1S,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride
CID 11773573
4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine
CID 58648750
1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol
CID 143139701
[1-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-yl] acetate
CID 66877779
(3R)-1-[(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-3-phenylmethoxypyrrolidine
CID 58637354
trans-(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexan-1-amine;hydrochloride
CID 68603153
(3S)-1-[(1R,2R)-2-[2-[3,4-bis(trideuterio(113C)methoxy)phenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 76974269
(3R)-1-[(1S,2S)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 58637355

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine?
The IUPAC name of 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine (CID 16737718) is 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine.
What is the SMILES notation for 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine?
The canonical SMILES for 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine is COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCNCC2)cc1OC.
What is the InChIKey of 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine?
The InChIKey is HNDXSQDAAHOVRN-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-23-19-8-7-16(15-20(19)24-2)9-14-25-18-6-4-3-5-17(18)22-12-10-21-11-13-22/h7-8,15,17-18,21H,3-6,9-14H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine?
1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine has a molecular weight of 348.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine is sourced from PubChem (CID 16737718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).