(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone

C24H28ClF2NO — CID 142018842

IUPAC(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CCCCCCc2cc(F)ccc2F)CC1
InChIInChI=1S/C24H28ClF2NO/c25-21-8-6-18(7-9-21)24(29)19-12-15-28(16-13-19)14-4-2-1-3-5-20-17-22(26)10-11-23(20)27/h6-11,17,19H,1-5,12-16H2
InChIKeyFRYVIXBYOSVUOO-UHFFFAOYSA-N
MW419.94 g/mol
LogP6.32
Rot. Bonds9

About (4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone

(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone (PubChem CID 142018842) has the molecular formula C24H28ClF2NO and a molecular weight of 419.94 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone
PubChem CID142018842
Molecular FormulaC24H28ClF2NO
Molecular Weight419.94 g/mol
Exact Mass419.18
IUPAC Name(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CCCCCCc2cc(F)ccc2F)CC1
InChIInChI=1S/C24H28ClF2NO/c25-21-8-6-18(7-9-21)24(29)19-12-15-28(16-13-19)14-4-2-1-3-5-20-17-22(26)10-11-23(20)27/h6-11,17,19H,1-5,12-16H2
InChIKeyFRYVIXBYOSVUOO-UHFFFAOYSA-N
XLogP6.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.94
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 21424815
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
CID 71749765
5,6-dichloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 21424827
3-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-6,7-dimethoxychromen-4-one
CID 67779034
[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 23503572
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea
CID 25015921

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone (CID 142018842) is (4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(CCCCCCc2cc(F)ccc2F)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone?
The InChIKey is FRYVIXBYOSVUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF2NO/c25-21-8-6-18(7-9-21)24(29)19-12-15-28(16-13-19)14-4-2-1-3-5-20-17-22(26)10-11-23(20)27/h6-11,17,19H,1-5,12-16H2.
What are the key properties of (4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone has a molecular weight of 419.94 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone is sourced from PubChem (CID 142018842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).