2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol

C17H26N2O3 — CID 171294267

IUPAC2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
SMILESCOc1cccc([C@@H](C2CCOCC2)N2CCNCC2)c1O
InChIInChI=1S/C17H26N2O3/c1-21-15-4-2-3-14(17(15)20)16(13-5-11-22-12-6-13)19-9-7-18-8-10-19/h2-4,13,16,18,20H,5-12H2,1H3/t16-/m1/s1
InChIKeyDKLMBOXJRZNYFA-MRXNPFEDSA-N
MW306.41 g/mol
LogP1.77
Rot. Bonds4

About 2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol

2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol (PubChem CID 171294267) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
PubChem CID171294267
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
SMILESCOc1cccc([C@@H](C2CCOCC2)N2CCNCC2)c1O
InChIInChI=1S/C17H26N2O3/c1-21-15-4-2-3-14(17(15)20)16(13-5-11-22-12-6-13)19-9-7-18-8-10-19/h2-4,13,16,18,20H,5-12H2,1H3/t16-/m1/s1
InChIKeyDKLMBOXJRZNYFA-MRXNPFEDSA-N
XLogP1.77
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171284023
3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]benzene-1,2-diol;dihydrochloride
CID 171287326
1-[(S)-(2-fluoro-6-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171280770
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171281259
3-bromo-6-methoxy-2-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171298660
3-bromo-6-methoxy-2-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171301139
6-chloro-3-methoxy-2-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171298619
1-[(S)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171274767
2-bromo-4-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171301218
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-(trifluoromethoxy)phenol;dihydrochloride
CID 171301809
1-[(S)-oxan-4-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280476

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol?
The IUPAC name of 2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol (CID 171294267) is 2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol is COc1cccc([C@@H](C2CCOCC2)N2CCNCC2)c1O.
What is the InChIKey of 2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol?
The InChIKey is DKLMBOXJRZNYFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-15-4-2-3-14(17(15)20)16(13-5-11-22-12-6-13)19-9-7-18-8-10-19/h2-4,13,16,18,20H,5-12H2,1H3/t16-/m1/s1.
What are the key properties of 2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol?
2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol has a molecular weight of 306.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol is sourced from PubChem (CID 171294267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).