1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine

C18H21F2N3 — CID 171912522

IUPAC1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C18H21F2N3/c1-14-3-2-4-16(21-14)13-23-9-7-22(8-10-23)12-15-5-6-17(19)18(20)11-15/h2-6,11H,7-10,12-13H2,1H3
InChIKeyIOYQUDHMWFNGEC-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.99
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine

1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 171912522) has the molecular formula C18H21F2N3 and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID171912522
Molecular FormulaC18H21F2N3
Molecular Weight317.38 g/mol
Exact Mass317.17
IUPAC Name1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C18H21F2N3/c1-14-3-2-4-16(21-14)13-23-9-7-22(8-10-23)12-15-5-6-17(19)18(20)11-15/h2-6,11H,7-10,12-13H2,1H3
InChIKeyIOYQUDHMWFNGEC-UHFFFAOYSA-N
XLogP2.99
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 45208876
7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45235909
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 154580839
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4,5,6-trimethylpyrimidine
CID 163316237
4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 79267762
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
(8aR)-2-[(4-fluorophenyl)methyl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537096
[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 46982833
(6S)-1-benzyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-6-ol
CID 97285618
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 32767746
4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581240
4-[2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 154580930

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine (CID 171912522) is 1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine is Cc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)CC2)n1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is IOYQUDHMWFNGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3/c1-14-3-2-4-16(21-14)13-23-9-7-22(8-10-23)12-15-5-6-17(19)18(20)11-15/h2-6,11H,7-10,12-13H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine?
1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 317.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 171912522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).