(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol

C13H18FNO — CID 79023931

IUPAC(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
SMILESCc1cc(C(O)C2CCCNC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-9-7-10(4-5-12(9)14)13(16)11-3-2-6-15-8-11/h4-5,7,11,13,15-16H,2-3,6,8H2,1H3
InChIKeyVZZBNJDSFIYKOO-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.17
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol

(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol (PubChem CID 79023931) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
PubChem CID79023931
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
SMILESCc1cc(C(O)C2CCCNC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-9-7-10(4-5-12(9)14)13(16)11-3-2-6-15-8-11/h4-5,7,11,13,15-16H,2-3,6,8H2,1H3
InChIKeyVZZBNJDSFIYKOO-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290
(4-fluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424893
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
[4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol
CID 66259760
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171262203
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol
CID 82303366
(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
CID 116935834

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol?
The IUPAC name of (4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol (CID 79023931) is (4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol?
The canonical SMILES for (4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol is Cc1cc(C(O)C2CCCNC2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol?
The InChIKey is VZZBNJDSFIYKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-7-10(4-5-12(9)14)13(16)11-3-2-6-15-8-11/h4-5,7,11,13,15-16H,2-3,6,8H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol?
(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol has a molecular weight of 223.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol is sourced from PubChem (CID 79023931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).