1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol

C18H28FN3O — CID 83978195

IUPAC1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
SMILESCC1CN(C(CN2CCC(O)CC2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C18H28FN3O/c1-14-12-22(11-8-20-14)18(15-2-4-16(19)5-3-15)13-21-9-6-17(23)7-10-21/h2-5,14,17-18,20,23H,6-13H2,1H3
InChIKeyHHXQOADCIVMJLF-UHFFFAOYSA-N
MW321.44 g/mol
LogP1.62
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol

1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol (PubChem CID 83978195) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
PubChem CID83978195
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC Name1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
SMILESCC1CN(C(CN2CCC(O)CC2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C18H28FN3O/c1-14-12-22(11-8-20-14)18(15-2-4-16(19)5-3-15)13-21-9-6-17(23)7-10-21/h2-5,14,17-18,20,23H,6-13H2,1H3
InChIKeyHHXQOADCIVMJLF-UHFFFAOYSA-N
XLogP1.62
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178
1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 112539976
1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
CID 83979406
1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978531
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
CID 83977826
2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
CID 83979668
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 112539497
N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 83978117

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol (CID 83978195) is 1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol is CC1CN(C(CN2CCC(O)CC2)c2ccc(F)cc2)CCN1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol?
The InChIKey is HHXQOADCIVMJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-14-12-22(11-8-20-14)18(15-2-4-16(19)5-3-15)13-21-9-6-17(23)7-10-21/h2-5,14,17-18,20,23H,6-13H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol?
1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol has a molecular weight of 321.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 83978195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).