6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol

C12H16ClNO2 — CID 131252293

IUPAC6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
SMILESCOc1ccc(Cl)c(O)c1[C@H]1CCCCN1
InChIInChI=1S/C12H16ClNO2/c1-16-10-6-5-8(13)12(15)11(10)9-4-2-3-7-14-9/h5-6,9,14-15H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyRIPIWDWKNNKMSU-SECBINFHSA-N
MW241.72 g/mol
LogP2.87
Rot. Bonds2

About 6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol

6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol (PubChem CID 131252293) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol.

Molecular Properties

Compound Name6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
PubChem CID131252293
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
SMILESCOc1ccc(Cl)c(O)c1[C@H]1CCCCN1
InChIInChI=1S/C12H16ClNO2/c1-16-10-6-5-8(13)12(15)11(10)9-4-2-3-7-14-9/h5-6,9,14-15H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyRIPIWDWKNNKMSU-SECBINFHSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine
CID 117476719
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
CID 117432185
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117359415
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
3-hydroxy-4-methoxy-2-[(2R)-pyrrolidin-2-yl]benzonitrile
CID 131318832
3-hydroxy-4-methoxy-2-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 131317788

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol?
The IUPAC name of 6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol (CID 131252293) is 6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol.
What is the SMILES notation for 6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol?
The canonical SMILES for 6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol is COc1ccc(Cl)c(O)c1[C@H]1CCCCN1.
What is the InChIKey of 6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol?
The InChIKey is RIPIWDWKNNKMSU-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-10-6-5-8(13)12(15)11(10)9-4-2-3-7-14-9/h5-6,9,14-15H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of 6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol?
6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol has a molecular weight of 241.72 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol is sourced from PubChem (CID 131252293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).