5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline

C18H28ClFN4O — CID 59452960

IUPAC5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline
SMILESCOc1cc(N2CCC(N3CCN(CCF)CC3)CC2)c(Cl)cc1N
InChIInChI=1S/C18H28ClFN4O/c1-25-18-13-17(15(19)12-16(18)21)24-5-2-14(3-6-24)23-10-8-22(7-4-20)9-11-23/h12-14H,2-11,21H2,1H3
InChIKeyILCKVGQHSPNDBB-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.49
Rot. Bonds5

About 5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline

5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline (PubChem CID 59452960) has the molecular formula C18H28ClFN4O and a molecular weight of 370.90 g/mol. Its IUPAC name is 5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline
PubChem CID59452960
Molecular FormulaC18H28ClFN4O
Molecular Weight370.90 g/mol
Exact Mass370.19
IUPAC Name5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline
SMILESCOc1cc(N2CCC(N3CCN(CCF)CC3)CC2)c(Cl)cc1N
InChIInChI=1S/C18H28ClFN4O/c1-25-18-13-17(15(19)12-16(18)21)24-5-2-14(3-6-24)23-10-8-22(7-4-20)9-11-23/h12-14H,2-11,21H2,1H3
InChIKeyILCKVGQHSPNDBB-UHFFFAOYSA-N
XLogP2.49
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline
CID 130270914
2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 59452610
2-methoxy-4-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
CID 168838663
5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline
CID 177085199
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838
4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one
CID 59452779
5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 107259226
5-[4-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 169222813
ethane;5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine;methane
CID 167595027
3-[4-[4-[2-[4-[1-(4-amino-5-methoxy-2-methylphenyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 167027144
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline?
The IUPAC name of 5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline (CID 59452960) is 5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline.
What is the SMILES notation for 5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline?
The canonical SMILES for 5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline is COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)c(Cl)cc1N.
What is the InChIKey of 5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline?
The InChIKey is ILCKVGQHSPNDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClFN4O/c1-25-18-13-17(15(19)12-16(18)21)24-5-2-14(3-6-24)23-10-8-22(7-4-20)9-11-23/h12-14H,2-11,21H2,1H3.
What are the key properties of 5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline?
5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline has a molecular weight of 370.90 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline is sourced from PubChem (CID 59452960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).