2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine

C23H22ClFN2 — CID 57181978

IUPAC2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
SMILESFc1ccc(C2CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C23H22ClFN2/c24-21-5-1-20(2-6-21)23-15-17(9-12-26-23)16-27-13-10-19(11-14-27)18-3-7-22(25)8-4-18/h1-9,12,15,19H,10-11,13-14,16H2
InChIKeyKUBWIUOJADOMBC-UHFFFAOYSA-N
MW380.89 g/mol
LogP5.92
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine

2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine (PubChem CID 57181978) has the molecular formula C23H22ClFN2 and a molecular weight of 380.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
PubChem CID57181978
Molecular FormulaC23H22ClFN2
Molecular Weight380.89 g/mol
Exact Mass380.15
IUPAC Name2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
SMILESFc1ccc(C2CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C23H22ClFN2/c24-21-5-1-20(2-6-21)23-15-17(9-12-26-23)16-27-13-10-19(11-14-27)18-3-7-22(25)8-4-18/h1-9,12,15,19H,10-11,13-14,16H2
InChIKeyKUBWIUOJADOMBC-UHFFFAOYSA-N
XLogP5.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.89
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863538
N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 21352369
4-(4-fluorophenyl)-1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]piperidin-4-ol
CID 19863535
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 135144481
6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
CID 22340506
2-chloro-N-[[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]phenyl]methyl]pyridine-4-carboxamide
CID 23108518
7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one
CID 86581399
3-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032608
(Z)-but-2-enedioic acid;1-[(4-chlorophenyl)methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 90742566
N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 21352365
1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine
CID 22557933

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine (CID 57181978) is 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine is Fc1ccc(C2CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is KUBWIUOJADOMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2/c24-21-5-1-20(2-6-21)23-15-17(9-12-26-23)16-27-13-10-19(11-14-27)18-3-7-22(25)8-4-18/h1-9,12,15,19H,10-11,13-14,16H2.
What are the key properties of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 380.89 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 57181978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).