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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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).