4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine

C22H26ClF2N — CID 170089273

IUPAC4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
SMILESCc1cc(CC2CCN(c3c(F)cc(C(C)C)cc3F)CC2)ccc1Cl
InChIInChI=1S/C22H26ClF2N/c1-14(2)18-12-20(24)22(21(25)13-18)26-8-6-16(7-9-26)11-17-4-5-19(23)15(3)10-17/h4-5,10,12-14,16H,6-9,11H2,1-3H3
InChIKeyYUIONVFXYUNVQE-UHFFFAOYSA-N
MW377.91 g/mol
LogP6.51
Rot. Bonds4

About 4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine

4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine (PubChem CID 170089273) has the molecular formula C22H26ClF2N and a molecular weight of 377.91 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
PubChem CID170089273
Molecular FormulaC22H26ClF2N
Molecular Weight377.91 g/mol
Exact Mass377.17
IUPAC Name4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
SMILESCc1cc(CC2CCN(c3c(F)cc(C(C)C)cc3F)CC2)ccc1Cl
InChIInChI=1S/C22H26ClF2N/c1-14(2)18-12-20(24)22(21(25)13-18)26-8-6-16(7-9-26)11-17-4-5-19(23)15(3)10-17/h4-5,10,12-14,16H,6-9,11H2,1-3H3
InChIKeyYUIONVFXYUNVQE-UHFFFAOYSA-N
XLogP6.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.91
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine?
The IUPAC name of 4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine (CID 170089273) is 4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine is Cc1cc(CC2CCN(c3c(F)cc(C(C)C)cc3F)CC2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine?
The InChIKey is YUIONVFXYUNVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2N/c1-14(2)18-12-20(24)22(21(25)13-18)26-8-6-16(7-9-26)11-17-4-5-19(23)15(3)10-17/h4-5,10,12-14,16H,6-9,11H2,1-3H3.
What are the key properties of 4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine?
4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine has a molecular weight of 377.91 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methylphenyl)methyl]-1-(2,6-difluoro-4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 170089273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).