[2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol

C13H18ClNO2 — CID 114064308

IUPAC[2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
SMILESCOC1CCCN(c2ccc(CO)c(Cl)c2)C1
InChIInChI=1S/C13H18ClNO2/c1-17-12-3-2-6-15(8-12)11-5-4-10(9-16)13(14)7-11/h4-5,7,12,16H,2-3,6,8-9H2,1H3
InChIKeyFJWGTVKFLUYUIL-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.45
Rot. Bonds3

About [2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol

[2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol (PubChem CID 114064308) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
PubChem CID114064308
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
SMILESCOC1CCCN(c2ccc(CO)c(Cl)c2)C1
InChIInChI=1S/C13H18ClNO2/c1-17-12-3-2-6-15(8-12)11-5-4-10(9-16)13(14)7-11/h4-5,7,12,16H,2-3,6,8-9H2,1H3
InChIKeyFJWGTVKFLUYUIL-UHFFFAOYSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
CID 114064234
[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol
CID 103535412
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035
2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958478
1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
CID 121141708
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498
1-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
CID 90124019
[2-chloro-4-(4,4-dimethylpiperidin-1-yl)phenyl]methanol
CID 114064266
3-methoxy-1-phenylpiperidine
CID 70382121
2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
CID 102960094
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol?
The IUPAC name of [2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol (CID 114064308) is [2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol is COC1CCCN(c2ccc(CO)c(Cl)c2)C1.
What is the InChIKey of [2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol?
The InChIKey is FJWGTVKFLUYUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-12-3-2-6-15(8-12)11-5-4-10(9-16)13(14)7-11/h4-5,7,12,16H,2-3,6,8-9H2,1H3.
What are the key properties of [2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol?
[2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol has a molecular weight of 255.74 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114064308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).