3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine

C19H25FN4O — CID 142457050

IUPAC3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine
SMILESCOC(c1ccc(-c2ccc(N3CCNCC3)nc2)cc1)C(N)CF
InChIInChI=1S/C19H25FN4O/c1-25-19(17(21)12-20)15-4-2-14(3-5-15)16-6-7-18(23-13-16)24-10-8-22-9-11-24/h2-7,13,17,19,22H,8-12,21H2,1H3
InChIKeyGRGANJSWMCKVTD-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.14
Rot. Bonds6

About 3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine

3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine (PubChem CID 142457050) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine
PubChem CID142457050
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine
SMILESCOC(c1ccc(-c2ccc(N3CCNCC3)nc2)cc1)C(N)CF
InChIInChI=1S/C19H25FN4O/c1-25-19(17(21)12-20)15-4-2-14(3-5-15)16-6-7-18(23-13-16)24-10-8-22-9-11-24/h2-7,13,17,19,22H,8-12,21H2,1H3
InChIKeyGRGANJSWMCKVTD-UHFFFAOYSA-N
XLogP2.14
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S)-3-fluoro-1-methoxy-1-(4-piperazin-1-ylphenyl)propan-2-amine
CID 90088114
3-fluoro-1-methoxy-1-(4-piperazin-1-ylphenyl)propan-2-amine
CID 142457120
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 141215033
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]aniline
CID 134395559
1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride
CID 23133526
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
1-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine
CID 163230421
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925
(6-piperazin-1-yl-3-pyridinyl)methanol
CID 23385573

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine?
The IUPAC name of 3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine (CID 142457050) is 3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine.
What is the SMILES notation for 3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine?
The canonical SMILES for 3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine is COC(c1ccc(-c2ccc(N3CCNCC3)nc2)cc1)C(N)CF.
What is the InChIKey of 3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine?
The InChIKey is GRGANJSWMCKVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-25-19(17(21)12-20)15-4-2-14(3-5-15)16-6-7-18(23-13-16)24-10-8-22-9-11-24/h2-7,13,17,19,22H,8-12,21H2,1H3.
What are the key properties of 3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine?
3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine has a molecular weight of 344.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine is sourced from PubChem (CID 142457050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).