1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol

C15H22FNO — CID 55099022

IUPAC1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCCN(CCC(O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNO/c1-12-3-2-9-17(11-12)10-8-15(18)13-4-6-14(16)7-5-13/h4-7,12,15,18H,2-3,8-11H2,1H3
InChIKeyDTVKOBARLJLFNT-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol

1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol (PubChem CID 55099022) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
PubChem CID55099022
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCCN(CCC(O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNO/c1-12-3-2-9-17(11-12)10-8-15(18)13-4-6-14(16)7-5-13/h4-7,12,15,18H,2-3,8-11H2,1H3
InChIKeyDTVKOBARLJLFNT-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073686
1-(4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967568
1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82074380
N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
3-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62932007
6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 110830655
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)propan-1-ol
CID 79916131
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol (CID 55099022) is 1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol is CC1CCCN(CCC(O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is DTVKOBARLJLFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12-3-2-9-17(11-12)10-8-15(18)13-4-6-14(16)7-5-13/h4-7,12,15,18H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 55099022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).