N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine

C36H34F2N4 — CID 21352365

IUPACN,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
SMILESCc1ccc(N(Cc2ccnc(-c3cccc(F)c3)c2)C2CCN(Cc3ccnc(-c4cccc(F)c4)c3)CC2)cc1
InChIInChI=1S/C36H34F2N4/c1-26-8-10-33(11-9-26)42(25-28-13-17-40-36(21-28)30-5-3-7-32(38)23-30)34-14-18-41(19-15-34)24-27-12-16-39-35(20-27)29-4-2-6-31(37)22-29/h2-13,16-17,20-23,34H,14-15,18-19,24-25H2,1H3
InChIKeyKTSAYCNUIIBCQH-UHFFFAOYSA-N
MW560.69 g/mol
LogP8.07
Rot. Bonds8

About N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine

N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine (PubChem CID 21352365) has the molecular formula C36H34F2N4 and a molecular weight of 560.69 g/mol. Its IUPAC name is N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
PubChem CID21352365
Molecular FormulaC36H34F2N4
Molecular Weight560.69 g/mol
Exact Mass560.28
IUPAC NameN,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
SMILESCc1ccc(N(Cc2ccnc(-c3cccc(F)c3)c2)C2CCN(Cc3ccnc(-c4cccc(F)c4)c3)CC2)cc1
InChIInChI=1S/C36H34F2N4/c1-26-8-10-33(11-9-26)42(25-28-13-17-40-36(21-28)30-5-3-7-32(38)23-30)34-14-18-41(19-15-34)24-27-12-16-39-35(20-27)29-4-2-6-31(37)22-29/h2-13,16-17,20-23,34H,14-15,18-19,24-25H2,1H3
InChIKeyKTSAYCNUIIBCQH-UHFFFAOYSA-N
XLogP8.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.69
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 161333422
N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
CID 21352374
N,1-bis[[2-(3,4-dimethylphenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 21352363
N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 21352369
N-[[2-(3,4-dimethylphenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 162040484
N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352441
N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 21352563
N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 160932241
N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
CID 21352397
N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 162051714
tert-butyl 4-[N-[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-4-methoxyanilino]piperidine-1-carboxylate
CID 22557910
[4-[N-[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-4-methoxyanilino]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 142906181

Frequently Asked Questions

What is the IUPAC name of N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine?
The IUPAC name of N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine (CID 21352365) is N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine.
What is the SMILES notation for N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine?
The canonical SMILES for N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine is Cc1ccc(N(Cc2ccnc(-c3cccc(F)c3)c2)C2CCN(Cc3ccnc(-c4cccc(F)c4)c3)CC2)cc1.
What is the InChIKey of N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine?
The InChIKey is KTSAYCNUIIBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F2N4/c1-26-8-10-33(11-9-26)42(25-28-13-17-40-36(21-28)30-5-3-7-32(38)23-30)34-14-18-41(19-15-34)24-27-12-16-39-35(20-27)29-4-2-6-31(37)22-29/h2-13,16-17,20-23,34H,14-15,18-19,24-25H2,1H3.
What are the key properties of N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine?
N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine has a molecular weight of 560.69 g/mol, XLogP of 8.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 21352365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).