1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol

C26H28ClNO2 — CID 166377132

IUPAC1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol
SMILESCc1cc(OCc2cccc(Cl)c2)ccc1-c1cccc(CN2CCC(O)CC2)c1
InChIInChI=1S/C26H28ClNO2/c1-19-14-25(30-18-21-5-3-7-23(27)16-21)8-9-26(19)22-6-2-4-20(15-22)17-28-12-10-24(29)11-13-28/h2-9,14-16,24,29H,10-13,17-18H2,1H3
InChIKeySYQWMVPSWADXQM-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.85
Rot. Bonds6

About 1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol

1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol (PubChem CID 166377132) has the molecular formula C26H28ClNO2 and a molecular weight of 421.97 g/mol. Its IUPAC name is 1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol
PubChem CID166377132
Molecular FormulaC26H28ClNO2
Molecular Weight421.97 g/mol
Exact Mass421.18
IUPAC Name1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol
SMILESCc1cc(OCc2cccc(Cl)c2)ccc1-c1cccc(CN2CCC(O)CC2)c1
InChIInChI=1S/C26H28ClNO2/c1-19-14-25(30-18-21-5-3-7-23(27)16-21)8-9-26(19)22-6-2-4-20(15-22)17-28-12-10-24(29)11-13-28/h2-9,14-16,24,29H,10-13,17-18H2,1H3
InChIKeySYQWMVPSWADXQM-UHFFFAOYSA-N
XLogP5.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol (CID 166377132) is 1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol is Cc1cc(OCc2cccc(Cl)c2)ccc1-c1cccc(CN2CCC(O)CC2)c1.
What is the InChIKey of 1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is SYQWMVPSWADXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNO2/c1-19-14-25(30-18-21-5-3-7-23(27)16-21)8-9-26(19)22-6-2-4-20(15-22)17-28-12-10-24(29)11-13-28/h2-9,14-16,24,29H,10-13,17-18H2,1H3.
What are the key properties of 1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol?
1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 421.97 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 166377132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).