2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol

C19H25FN4O — CID 167988142

IUPAC2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol
SMILESCC(CN1CCN(c2ccccn2)CC1)NCc1cccc(O)c1F
InChIInChI=1S/C19H25FN4O/c1-15(22-13-16-5-4-6-17(25)19(16)20)14-23-9-11-24(12-10-23)18-7-2-3-8-21-18/h2-8,15,22,25H,9-14H2,1H3
InChIKeyGJXDCFDXPNKAFC-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.23
Rot. Bonds6

About 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol

2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol (PubChem CID 167988142) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol
PubChem CID167988142
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol
SMILESCC(CN1CCN(c2ccccn2)CC1)NCc1cccc(O)c1F
InChIInChI=1S/C19H25FN4O/c1-15(22-13-16-5-4-6-17(25)19(16)20)14-23-9-11-24(12-10-23)18-7-2-3-8-21-18/h2-8,15,22,25H,9-14H2,1H3
InChIKeyGJXDCFDXPNKAFC-UHFFFAOYSA-N
XLogP2.23
TPSA51.63 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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol with MolForge

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Related Compounds

2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938186
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133307275
6-methylsulfanyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridazin-3-amine
CID 133307184
5-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]-1,3-dihydrobenzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 167796027
2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71157049

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol?
The IUPAC name of 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol (CID 167988142) is 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol.
What is the SMILES notation for 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol?
The canonical SMILES for 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol is CC(CN1CCN(c2ccccn2)CC1)NCc1cccc(O)c1F.
What is the InChIKey of 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol?
The InChIKey is GJXDCFDXPNKAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-15(22-13-16-5-4-6-17(25)19(16)20)14-23-9-11-24(12-10-23)18-7-2-3-8-21-18/h2-8,15,22,25H,9-14H2,1H3.
What are the key properties of 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol?
2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol has a molecular weight of 344.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol is sourced from PubChem (CID 167988142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).