4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol

C12H15Cl2NO2 — CID 96823758

IUPAC4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol
SMILESOc1cc(Cl)c(Cl)cc1[C@H](O)C1CCNCC1
InChIInChI=1S/C12H15Cl2NO2/c13-9-5-8(11(16)6-10(9)14)12(17)7-1-3-15-4-2-7/h5-7,12,15-17H,1-4H2/t12-/m1/s1
InChIKeyXXVORNHXIWJRAM-GFCCVEGCSA-N
MW276.16 g/mol
LogP2.73
Rot. Bonds2

About 4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol

4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol (PubChem CID 96823758) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol.

Molecular Properties

Compound Name4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol
PubChem CID96823758
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol
SMILESOc1cc(Cl)c(Cl)cc1[C@H](O)C1CCNCC1
InChIInChI=1S/C12H15Cl2NO2/c13-9-5-8(11(16)6-10(9)14)12(17)7-1-3-15-4-2-7/h5-7,12,15-17H,1-4H2/t12-/m1/s1
InChIKeyXXVORNHXIWJRAM-GFCCVEGCSA-N
XLogP2.73
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide
CID 167323458
(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
CID 82341457
piperidin-4-yl-(2,4,5-trimethylphenyl)methanol
CID 80503850
4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
CID 171314242
(5-fluoro-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560260
2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol
CID 171314608
(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol
CID 102764357
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
azepan-4-yl-(4-chlorophenyl)methanol
CID 84701681
(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol
CID 79024060
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560362
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol?
The IUPAC name of 4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol (CID 96823758) is 4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol.
What is the SMILES notation for 4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol?
The canonical SMILES for 4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol is Oc1cc(Cl)c(Cl)cc1[C@H](O)C1CCNCC1.
What is the InChIKey of 4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol?
The InChIKey is XXVORNHXIWJRAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c13-9-5-8(11(16)6-10(9)14)12(17)7-1-3-15-4-2-7/h5-7,12,15-17H,1-4H2/t12-/m1/s1.
What are the key properties of 4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol?
4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol has a molecular weight of 276.16 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(R)-hydroxy(piperidin-4-yl)methyl]phenol is sourced from PubChem (CID 96823758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).