1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol

C12H16ClNO2 — CID 115879745

IUPAC1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol
SMILESOc1cccc(Cl)c1CN1CCCC(O)C1
InChIInChI=1S/C12H16ClNO2/c13-11-4-1-5-12(16)10(11)8-14-6-2-3-9(15)7-14/h1,4-5,9,15-16H,2-3,6-8H2
InChIKeyJPVYURLZZLFOOO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.00
Rot. Bonds2

About 1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol

1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol (PubChem CID 115879745) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol
PubChem CID115879745
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol
SMILESOc1cccc(Cl)c1CN1CCCC(O)C1
InChIInChI=1S/C12H16ClNO2/c13-11-4-1-5-12(16)10(11)8-14-6-2-3-9(15)7-14/h1,4-5,9,15-16H,2-3,6-8H2
InChIKeyJPVYURLZZLFOOO-UHFFFAOYSA-N
XLogP2.00
TPSA43.70 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 ≤ 52.00
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

1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 114322169
3-chloro-2-[(3,4-dimethylpiperidin-1-yl)methyl]phenol
CID 113346151
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
(3R)-1-[(7-chloroquinolin-8-yl)methyl]piperidin-3-ol
CID 94382578
(3R)-1-benzylazepan-3-ol
CID 124585423
3-chloro-2-[(3-methylpiperazin-1-yl)methyl]phenol
CID 114321095
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
3-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82974860
3-chloro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenol
CID 115882280
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol (CID 115879745) is 1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol is Oc1cccc(Cl)c1CN1CCCC(O)C1.
What is the InChIKey of 1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol?
The InChIKey is JPVYURLZZLFOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-11-4-1-5-12(16)10(11)8-14-6-2-3-9(15)7-14/h1,4-5,9,15-16H,2-3,6-8H2.
What are the key properties of 1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol?
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol has a molecular weight of 241.72 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 115879745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).