(1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone

C24H29F2N2O2P — CID 143495989

IUPAC(1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2)CC1)N1CCC(Oc2c(F)cc(P)cc2F)CC1
InChIInChI=1S/C24H29F2N2O2P/c25-21-14-20(31)15-22(26)23(21)30-19-8-12-28(13-9-19)24(29)18-6-10-27(11-7-18)16-17-4-2-1-3-5-17/h1-5,14-15,18-19H,6-13,16,31H2
InChIKeyXENHDFYTWUXGJU-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.75
Rot. Bonds5

About (1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone

(1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone (PubChem CID 143495989) has the molecular formula C24H29F2N2O2P and a molecular weight of 446.48 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone
PubChem CID143495989
Molecular FormulaC24H29F2N2O2P
Molecular Weight446.48 g/mol
Exact Mass446.19
IUPAC Name(1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2)CC1)N1CCC(Oc2c(F)cc(P)cc2F)CC1
InChIInChI=1S/C24H29F2N2O2P/c25-21-14-20(31)15-22(26)23(21)30-19-8-12-28(13-9-19)24(29)18-6-10-27(11-7-18)16-17-4-2-1-3-5-17/h1-5,14-15,18-19H,6-13,16,31H2
InChIKeyXENHDFYTWUXGJU-UHFFFAOYSA-N
XLogP3.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone
CID 70946485
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
[1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperidin-4-yl]-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]methanone
CID 143382707
2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 16909130
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
(4-benzylpiperazin-1-yl)-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 1096570
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
CID 163328056
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 20754558

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone (CID 143495989) is (1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone is O=C(C1CCN(Cc2ccccc2)CC1)N1CCC(Oc2c(F)cc(P)cc2F)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone?
The InChIKey is XENHDFYTWUXGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N2O2P/c25-21-14-20(31)15-22(26)23(21)30-19-8-12-28(13-9-19)24(29)18-6-10-27(11-7-18)16-17-4-2-1-3-5-17/h1-5,14-15,18-19H,6-13,16,31H2.
What are the key properties of (1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone?
(1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone has a molecular weight of 446.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)-[4-(2,6-difluoro-4-phosphanylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 143495989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).