[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol

C13H17Cl2NO — CID 86329631

IUPAC[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO/c14-11-4-5-13(15)10(7-11)8-16-6-2-1-3-12(16)9-17/h4-5,7,12,17H,1-3,6,8-9H2/t12-/m1/s1
InChIKeyNCPWAVVWGPABNV-GFCCVEGCSA-N
MW274.19 g/mol
LogP3.34
Rot. Bonds3

About [(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol

[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol (PubChem CID 86329631) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is [(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
PubChem CID86329631
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO/c14-11-4-5-13(15)10(7-11)8-16-6-2-1-3-12(16)9-17/h4-5,7,12,17H,1-3,6,8-9H2/t12-/m1/s1
InChIKeyNCPWAVVWGPABNV-GFCCVEGCSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
[1-[(2,4-dichlorophenyl)methyl]azepan-2-yl]methanol
CID 116637812
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methyl]azepane
CID 116638390
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 65318410
[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 99960060
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 65317442

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol (CID 86329631) is [(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol is OC[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of [(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is NCPWAVVWGPABNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-4-5-13(15)10(7-11)8-16-6-2-1-3-12(16)9-17/h4-5,7,12,17H,1-3,6,8-9H2/t12-/m1/s1.
What are the key properties of [(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol?
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 274.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 86329631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).