[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol

C15H22ClNO3 — CID 99960060

IUPAC[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
SMILESCOc1cc(Cl)c(CN2CCCC[C@@H]2CO)cc1OC
InChIInChI=1S/C15H22ClNO3/c1-19-14-7-11(13(16)8-15(14)20-2)9-17-6-4-3-5-12(17)10-18/h7-8,12,18H,3-6,9-10H2,1-2H3/t12-/m1/s1
InChIKeyQXMVAADDDXNHLM-GFCCVEGCSA-N
MW299.80 g/mol
LogP2.70
Rot. Bonds5

About [(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol

[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol (PubChem CID 99960060) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is [(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
PubChem CID99960060
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
SMILESCOc1cc(Cl)c(CN2CCCC[C@@H]2CO)cc1OC
InChIInChI=1S/C15H22ClNO3/c1-19-14-7-11(13(16)8-15(14)20-2)9-17-6-4-3-5-12(17)10-18/h7-8,12,18H,3-6,9-10H2,1-2H3/t12-/m1/s1
InChIKeyQXMVAADDDXNHLM-GFCCVEGCSA-N
XLogP2.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
[1-[(2,4-dichlorophenyl)methyl]azepan-2-yl]methanol
CID 116637812
[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrolidin-2-yl]methanol
CID 44827911
[(2S)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrolidin-2-yl]methanol
CID 27267040
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
CID 106785288
[(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99935125
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
[1-[(2-bromo-5-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 116637167

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol (CID 99960060) is [(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol is COc1cc(Cl)c(CN2CCCC[C@@H]2CO)cc1OC.
What is the InChIKey of [(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is QXMVAADDDXNHLM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-19-14-7-11(13(16)8-15(14)20-2)9-17-6-4-3-5-12(17)10-18/h7-8,12,18H,3-6,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol?
[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 299.80 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 99960060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).