4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol

C13H18ClNO — CID 83824769

IUPAC4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol
SMILESCc1c(Cl)cccc1C1(O)CCN(C)CC1
InChIInChI=1S/C13H18ClNO/c1-10-11(4-3-5-12(10)14)13(16)6-8-15(2)9-7-13/h3-5,16H,6-9H2,1-2H3
InChIKeyLWNVKWSBMLFLEZ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.56
Rot. Bonds1

About 4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol

4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol (PubChem CID 83824769) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol
PubChem CID83824769
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol
SMILESCc1c(Cl)cccc1C1(O)CCN(C)CC1
InChIInChI=1S/C13H18ClNO/c1-10-11(4-3-5-12(10)14)13(16)6-8-15(2)9-7-13/h3-5,16H,6-9H2,1-2H3
InChIKeyLWNVKWSBMLFLEZ-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol (CID 83824769) is 4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol is Cc1c(Cl)cccc1C1(O)CCN(C)CC1.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol?
The InChIKey is LWNVKWSBMLFLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-11(4-3-5-12(10)14)13(16)6-8-15(2)9-7-13/h3-5,16H,6-9H2,1-2H3.
What are the key properties of 4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol?
4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol has a molecular weight of 239.75 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 83824769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).