disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide

C65H75FN10Na2O7 — CID 157129298

IUPACdisodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide
SMILESN#Cc1ccc(F)cc1.N#Cc1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.O=C(O)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.O=C1CCN(Cc2ccncc2)CC1.OC1CCN(Cc2ccncc2)CC1.[H-].[Na+].[Na+].[OH-]
InChIInChI=1S/C18H19N3O.C18H20N2O3.C11H16N2O.C11H14N2O.C7H4FN.2Na.H2O.H/c19-13-15-1-3-17(4-2-15)22-18-7-11-21(12-8-18)14-16-5-9-20-10-6-16;21-18(22)15-1-3-16(4-2-15)23-17-7-11-20(12-8-17)13-14-5-9-19-10-6-14;2*14-11-3-7-13(8-4-11)9-10-1-5-12-6-2-10;8-7-3-1-6(5-9)2-4-7;;;;/h1-6,9-10,18H,7-8,11-12,14H2;1-6,9-10,17H,7-8,11-13H2,(H,21,22);1-2,5-6,11,14H,3-4,7-9H2;1-2,5-6H,3-4,7-9H2;1-4H;;;1H2;/q;;;;;2*+1;;-1/p-1
InChIKeyGZUSIFWIJSMXRR-UHFFFAOYSA-M
MW1173.36 g/mol
LogP3.75
Rot. Bonds13

About disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide

disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide (PubChem CID 157129298) has the molecular formula C65H75FN10Na2O7 and a molecular weight of 1173.36 g/mol. Its IUPAC name is disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide.

Molecular Properties

Compound Namedisodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide
PubChem CID157129298
Molecular FormulaC65H75FN10Na2O7
Molecular Weight1173.36 g/mol
Exact Mass1172.56
IUPAC Namedisodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide
SMILESN#Cc1ccc(F)cc1.N#Cc1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.O=C(O)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.O=C1CCN(Cc2ccncc2)CC1.OC1CCN(Cc2ccncc2)CC1.[H-].[Na+].[Na+].[OH-]
InChIInChI=1S/C18H19N3O.C18H20N2O3.C11H16N2O.C11H14N2O.C7H4FN.2Na.H2O.H/c19-13-15-1-3-17(4-2-15)22-18-7-11-21(12-8-18)14-16-5-9-20-10-6-16;21-18(22)15-1-3-16(4-2-15)23-17-7-11-20(12-8-17)13-14-5-9-19-10-6-14;2*14-11-3-7-13(8-4-11)9-10-1-5-12-6-2-10;8-7-3-1-6(5-9)2-4-7;;;;/h1-6,9-10,18H,7-8,11-12,14H2;1-6,9-10,17H,7-8,11-13H2,(H,21,22);1-2,5-6,11,14H,3-4,7-9H2;1-2,5-6H,3-4,7-9H2;1-4H;;;1H2;/q;;;;;2*+1;;-1/p-1
InChIKeyGZUSIFWIJSMXRR-UHFFFAOYSA-M
XLogP3.75
TPSA235.16 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide with MolForge

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Related Compounds

4-[[4-(4-cyanophenoxy)piperidin-1-yl]methyl]benzoic acid
CID 122028993
4-[[4-[2-[5-[(3R)-3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 58073589
N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25287963
4-[(4-oxopiperidin-1-yl)methyl]benzonitrile
CID 10921862
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
4-(1-benzylpyrrolidin-3-yl)oxybenzonitrile
CID 62917204
1-(pyridin-4-ylmethyl)piperidin-4-one
CID 10997815
3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 97279626
N-[1-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]piperidin-4-yl]-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxybenzamide
CID 89260620
4-[[4-[5-[(3R)-3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 141328462
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710665
1-benzyl-4-(4-nitrophenoxy)piperidine;1-benzylpiperidin-4-ol;N-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-3-nitropyridin-2-amine;1-fluoro-4-nitrobenzene
CID 161105155

Frequently Asked Questions

What is the IUPAC name of disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide?
The IUPAC name of disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide (CID 157129298) is disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide.
What is the SMILES notation for disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide?
The canonical SMILES for disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide is N#Cc1ccc(F)cc1.N#Cc1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.O=C(O)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.O=C1CCN(Cc2ccncc2)CC1.OC1CCN(Cc2ccncc2)CC1.[H-].[Na+].[Na+].[OH-].
What is the InChIKey of disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide?
The InChIKey is GZUSIFWIJSMXRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19N3O.C18H20N2O3.C11H16N2O.C11H14N2O.C7H4FN.2Na.H2O.H/c19-13-15-1-3-17(4-2-15)22-18-7-11-21(12-8-18)14-16-5-9-20-10-6-16;21-18(22)15-1-3-16(4-2-15)23-17-7-11-20(12-8-17)13-14-5-9-19-10-6-14;2*14-11-3-7-13(8-4-11)9-10-1-5-12-6-2-10;8-7-3-1-6(5-9)2-4-7;;;;/h1-6,9-10,18H,7-8,11-12,14H2;1-6,9-10,17H,7-8,11-13H2,(H,21,22);1-2,5-6,11,14H,3-4,7-9H2;1-2,5-6H,3-4,7-9H2;1-4H;;;1H2;/q;;;;;2*+1;;-1/p-1.
What are the key properties of disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide?
disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide has a molecular weight of 1173.36 g/mol, XLogP of 3.75, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-fluorobenzonitrile;hydride;1-(pyridin-4-ylmethyl)piperidin-4-ol;1-(pyridin-4-ylmethyl)piperidin-4-one;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzoic acid;4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzonitrile;hydroxide is sourced from PubChem (CID 157129298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).