(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

C22H20F2N2O — CID 9397599

IUPAC(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C22H20F2N2O/c23-19-12-18(13-20(24)14-19)22(27)26-10-8-25(9-11-26)15-17-6-3-5-16-4-1-2-7-21(16)17/h1-7,12-14H,8-11,15H2
InChIKeyUGJPIYWCGHWANU-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.08
Rot. Bonds3

About (3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (PubChem CID 9397599) has the molecular formula C22H20F2N2O and a molecular weight of 366.41 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
PubChem CID9397599
Molecular FormulaC22H20F2N2O
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C22H20F2N2O/c23-19-12-18(13-20(24)14-19)22(27)26-10-8-25(9-11-26)15-17-6-3-5-16-4-1-2-7-21(16)17/h1-7,12-14H,8-11,15H2
InChIKeyUGJPIYWCGHWANU-UHFFFAOYSA-N
XLogP4.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9398005
2-methyl-5-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 37210584
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
(3-chloro-5-ethoxy-4-hydroxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 112796082
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837
3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 9398051
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9397565
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291
(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 24549487
7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 26419995

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (CID 9397599) is (3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc(F)cc(F)c1)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is UGJPIYWCGHWANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O/c23-19-12-18(13-20(24)14-19)22(27)26-10-8-25(9-11-26)15-17-6-3-5-16-4-1-2-7-21(16)17/h1-7,12-14H,8-11,15H2.
What are the key properties of (3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 366.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9397599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).