[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride

C24H30Cl2FN3O — CID 3042350

IUPAC[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C24H29ClFN3O.ClH/c25-21-3-7-23(8-4-21)28-17-15-27(16-18-28)12-9-19-10-13-29(14-11-19)24(30)20-1-5-22(26)6-2-20;/h1-8,19H,9-18H2;1H
InChIKeyMWGNQGSMKZMFOG-UHFFFAOYSA-N
MW466.43 g/mol
LogP4.97
Rot. Bonds5

About [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride

[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride (PubChem CID 3042350) has the molecular formula C24H30Cl2FN3O and a molecular weight of 466.43 g/mol. Its IUPAC name is [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
PubChem CID3042350
Molecular FormulaC24H30Cl2FN3O
Molecular Weight466.43 g/mol
Exact Mass465.17
IUPAC Name[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C24H29ClFN3O.ClH/c25-21-3-7-23(8-4-21)28-17-15-27(16-18-28)12-9-19-10-13-29(14-11-19)24(30)20-1-5-22(26)6-2-20;/h1-8,19H,9-18H2;1H
InChIKeyMWGNQGSMKZMFOG-UHFFFAOYSA-N
XLogP4.97
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride with MolForge

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
tert-butyl 4-[2-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15949000
[4-[4-[2-[1-[(2-methylpropan-2-yl)oxy]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 143388321
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68813544
1-[4-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 157058108
(4-chlorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150807
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 39834967
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 46688999
3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60542887

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride (CID 3042350) is [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride is Cl.O=C(c1ccc(F)cc1)N1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride?
The InChIKey is MWGNQGSMKZMFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O.ClH/c25-21-3-7-23(8-4-21)28-17-15-27(16-18-28)12-9-19-10-13-29(14-11-19)24(30)20-1-5-22(26)6-2-20;/h1-8,19H,9-18H2;1H.
What are the key properties of [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride?
[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride has a molecular weight of 466.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 3042350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).