1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine

C17H27N3O — CID 171289266

IUPAC1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine
SMILESCOc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cn1
InChIInChI=1S/C17H27N3O/c1-21-16-8-7-15(13-19-16)17(14-5-3-2-4-6-14)20-11-9-18-10-12-20/h7-8,13-14,17-18H,2-6,9-12H2,1H3/t17-/m1/s1
InChIKeyRYGXMFYAXKVNFE-QGZVFWFLSA-N
MW289.42 g/mol
LogP2.62
Rot. Bonds4

About 1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine

1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine (PubChem CID 171289266) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine
PubChem CID171289266
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine
SMILESCOc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cn1
InChIInChI=1S/C17H27N3O/c1-21-16-8-7-15(13-19-16)17(14-5-3-2-4-6-14)20-11-9-18-10-12-20/h7-8,13-14,17-18H,2-6,9-12H2,1H3/t17-/m1/s1
InChIKeyRYGXMFYAXKVNFE-QGZVFWFLSA-N
XLogP2.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
CID 171295207
1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171276521
1-[(R)-cyclohexyl-(3-fluoro-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287647
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
[4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-2-methoxyphenyl] acetate;dihydrochloride
CID 171280944
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine (CID 171289266) is 1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine is COc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cn1.
What is the InChIKey of 1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine?
The InChIKey is RYGXMFYAXKVNFE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N3O/c1-21-16-8-7-15(13-19-16)17(14-5-3-2-4-6-14)20-11-9-18-10-12-20/h7-8,13-14,17-18H,2-6,9-12H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine?
1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine has a molecular weight of 289.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 171289266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).