[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol

C20H25FN2O — CID 110011361

IUPAC[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol
SMILESCc1ccc(F)c(CNc2ccccc2N2CCC(CO)CC2)c1
InChIInChI=1S/C20H25FN2O/c1-15-6-7-18(21)17(12-15)13-22-19-4-2-3-5-20(19)23-10-8-16(14-24)9-11-23/h2-7,12,16,22,24H,8-11,13-14H2,1H3
InChIKeyBEPUGWBLQQHIOL-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.95
Rot. Bonds5

About [1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol

[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol (PubChem CID 110011361) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is [1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol
PubChem CID110011361
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol
SMILESCc1ccc(F)c(CNc2ccccc2N2CCC(CO)CC2)c1
InChIInChI=1S/C20H25FN2O/c1-15-6-7-18(21)17(12-15)13-22-19-4-2-3-5-20(19)23-10-8-16(14-24)9-11-23/h2-7,12,16,22,24H,8-11,13-14H2,1H3
InChIKeyBEPUGWBLQQHIOL-UHFFFAOYSA-N
XLogP3.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol (CID 110011361) is [1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol is Cc1ccc(F)c(CNc2ccccc2N2CCC(CO)CC2)c1.
What is the InChIKey of [1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol?
The InChIKey is BEPUGWBLQQHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-15-6-7-18(21)17(12-15)13-22-19-4-2-3-5-20(19)23-10-8-16(14-24)9-11-23/h2-7,12,16,22,24H,8-11,13-14H2,1H3.
What are the key properties of [1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol?
[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol has a molecular weight of 328.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110011361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).