1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol

C13H18F2N2O — CID 82299554

IUPAC1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol
SMILESOC(CCN1CCNCC1)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c14-10-1-2-11(12(15)9-10)13(18)3-6-17-7-4-16-5-8-17/h1-2,9,13,16,18H,3-8H2
InChIKeyPABGBEBRAXRCPC-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.29
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol

1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82299554) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82299554
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol
SMILESOC(CCN1CCNCC1)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c14-10-1-2-11(12(15)9-10)13(18)3-6-17-7-4-16-5-8-17/h1-2,9,13,16,18H,3-8H2
InChIKeyPABGBEBRAXRCPC-UHFFFAOYSA-N
XLogP1.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 96387
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Phenyl(piperidin-2-yl)methanol
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Allosedamine
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(R*,R*)-(+-)-1-Methyl-alpha-phenyl-2-piperidineethanol
CID 121504
4-[3-(Trifluoromethyl)phenyl]-4-piperidinol
CID 75255
(4-Fluorophenyl)(piperidin-4-yl)methanol
CID 4778266
(1R)-3-(methylamino)-1-phenylpropan-1-ol
CID 7020931
Flerobuterol
CID 71254
[1-[2-(Methylamino)ethyl]piperidin-4-yl]-phenylmethanol
CID 15342414
(1S)-1-(4-fluorophenyl)-2-[[(3S,6S)-6-[(4-fluorophenyl)-phenylmethyl]piperidin-3-yl]amino]ethanol
CID 44450676

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol (CID 82299554) is 1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol is OC(CCN1CCNCC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is PABGBEBRAXRCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-10-1-2-11(12(15)9-10)13(18)3-6-17-7-4-16-5-8-17/h1-2,9,13,16,18H,3-8H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol?
1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 256.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82299554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).