4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol

C19H22ClNO2 — CID 25263325

IUPAC4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol
SMILESCc1c(OCc2cccc(Cl)c2)cccc1C1(O)CCNCC1
InChIInChI=1S/C19H22ClNO2/c1-14-17(19(22)8-10-21-11-9-19)6-3-7-18(14)23-13-15-4-2-5-16(20)12-15/h2-7,12,21-22H,8-11,13H2,1H3
InChIKeyDFIJOVAIPZDSLD-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.80
Rot. Bonds4

About 4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol

4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol (PubChem CID 25263325) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol
PubChem CID25263325
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol
SMILESCc1c(OCc2cccc(Cl)c2)cccc1C1(O)CCNCC1
InChIInChI=1S/C19H22ClNO2/c1-14-17(19(22)8-10-21-11-9-19)6-3-7-18(14)23-13-15-4-2-5-16(20)12-15/h2-7,12,21-22H,8-11,13H2,1H3
InChIKeyDFIJOVAIPZDSLD-UHFFFAOYSA-N
XLogP3.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol?
The IUPAC name of 4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol (CID 25263325) is 4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol.
What is the SMILES notation for 4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol?
The canonical SMILES for 4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol is Cc1c(OCc2cccc(Cl)c2)cccc1C1(O)CCNCC1.
What is the InChIKey of 4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol?
The InChIKey is DFIJOVAIPZDSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14-17(19(22)8-10-21-11-9-19)6-3-7-18(14)23-13-15-4-2-5-16(20)12-15/h2-7,12,21-22H,8-11,13H2,1H3.
What are the key properties of 4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol?
4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol has a molecular weight of 331.84 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chlorophenyl)methoxy]-2-methylphenyl]piperidin-4-ol is sourced from PubChem (CID 25263325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).