1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol

C16H24FNO — CID 82073408

IUPAC1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCc1cc(C(O)CCN2CCC(C)CC2)ccc1F
InChIInChI=1S/C16H24FNO/c1-12-5-8-18(9-6-12)10-7-16(19)14-3-4-15(17)13(2)11-14/h3-4,11-12,16,19H,5-10H2,1-2H3
InChIKeyUXXOZQKSMUVOPD-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol

1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol (PubChem CID 82073408) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
PubChem CID82073408
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCc1cc(C(O)CCN2CCC(C)CC2)ccc1F
InChIInChI=1S/C16H24FNO/c1-12-5-8-18(9-6-12)10-7-16(19)14-3-4-15(17)13(2)11-14/h3-4,11-12,16,19H,5-10H2,1-2H3
InChIKeyUXXOZQKSMUVOPD-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
3-(azepan-1-yl)-1-(4-chloro-3-methylphenyl)propan-1-ol
CID 82074595
5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 142203549
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 55095037
1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 82070794
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine
CID 144811393

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol (CID 82073408) is 1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol is Cc1cc(C(O)CCN2CCC(C)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is UXXOZQKSMUVOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12-5-8-18(9-6-12)10-7-16(19)14-3-4-15(17)13(2)11-14/h3-4,11-12,16,19H,5-10H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82073408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).