1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol

C15H21F2NO — CID 82074380

IUPAC1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCCN(CCC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H21F2NO/c1-11-3-2-7-18(10-11)8-6-15(19)13-9-12(16)4-5-14(13)17/h4-5,9,11,15,19H,2-3,6-8,10H2,1H3
InChIKeyFSUONOJASURVRC-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.12
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol

1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol (PubChem CID 82074380) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
PubChem CID82074380
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCCN(CCC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H21F2NO/c1-11-3-2-7-18(10-11)8-6-15(19)13-9-12(16)4-5-14(13)17/h4-5,9,11,15,19H,2-3,6-8,10H2,1H3
InChIKeyFSUONOJASURVRC-UHFFFAOYSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074393
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073686

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol (CID 82074380) is 1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol is CC1CCCN(CCC(O)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is FSUONOJASURVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11-3-2-7-18(10-11)8-6-15(19)13-9-12(16)4-5-14(13)17/h4-5,9,11,15,19H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 269.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82074380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).