[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C23H27ClFN3O — CID 45014849

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27ClFN3O/c24-20-3-1-18(2-4-20)17-26-11-9-19(10-12-26)23(29)28-15-13-27(14-16-28)22-7-5-21(25)6-8-22/h1-8,19H,9-17H2
InChIKeyMIPMHTBKHLHKBG-UHFFFAOYSA-N
MW415.94 g/mol
LogP4.04
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 45014849) has the molecular formula C23H27ClFN3O and a molecular weight of 415.94 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID45014849
Molecular FormulaC23H27ClFN3O
Molecular Weight415.94 g/mol
Exact Mass415.18
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27ClFN3O/c24-20-3-1-18(2-4-20)17-26-11-9-19(10-12-26)23(29)28-15-13-27(14-16-28)22-7-5-21(25)6-8-22/h1-8,19H,9-17H2
InChIKeyMIPMHTBKHLHKBG-UHFFFAOYSA-N
XLogP4.04
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
CID 45012300
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 43922406
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 45018644
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
CID 3300598
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 100684966
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 45014849) is [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MIPMHTBKHLHKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O/c24-20-3-1-18(2-4-20)17-26-11-9-19(10-12-26)23(29)28-15-13-27(14-16-28)22-7-5-21(25)6-8-22/h1-8,19H,9-17H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 415.94 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 45014849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).