1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine

C23H30FN3O — CID 118760266

IUPAC1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine
SMILESFc1ccccc1N1CCN(Cc2cccc(OCC3CCCNC3)c2)CC1
InChIInChI=1S/C23H30FN3O/c24-22-8-1-2-9-23(22)27-13-11-26(12-14-27)17-19-5-3-7-21(15-19)28-18-20-6-4-10-25-16-20/h1-3,5,7-9,15,20,25H,4,6,10-14,16-18H2
InChIKeyRVDIIWLYFNZNIW-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.53
Rot. Bonds6

About 1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine

1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine (PubChem CID 118760266) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine
PubChem CID118760266
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine
SMILESFc1ccccc1N1CCN(Cc2cccc(OCC3CCCNC3)c2)CC1
InChIInChI=1S/C23H30FN3O/c24-22-8-1-2-9-23(22)27-13-11-26(12-14-27)17-19-5-3-7-21(15-19)28-18-20-6-4-10-25-16-20/h1-3,5,7-9,15,20,25H,4,6,10-14,16-18H2
InChIKeyRVDIIWLYFNZNIW-UHFFFAOYSA-N
XLogP3.53
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 45228691
[3-[[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45232756
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
CID 170886815
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
4-phenyl-1-[[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methyl]piperidine
CID 125156876
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
CID 65203857

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine (CID 118760266) is 1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine is Fc1ccccc1N1CCN(Cc2cccc(OCC3CCCNC3)c2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine?
The InChIKey is RVDIIWLYFNZNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c24-22-8-1-2-9-23(22)27-13-11-26(12-14-27)17-19-5-3-7-21(15-19)28-18-20-6-4-10-25-16-20/h1-3,5,7-9,15,20,25H,4,6,10-14,16-18H2.
What are the key properties of 1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine?
1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine has a molecular weight of 383.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[[3-(piperidin-3-ylmethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 118760266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).