[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol

C16H25FN2O — CID 43590501

IUPAC[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
SMILESCC(C)NCc1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-12(2)18-9-13-5-6-16(15(17)8-13)19-7-3-4-14(10-19)11-20/h5-6,8,12,14,18,20H,3-4,7,9-11H2,1-2H3
InChIKeyLREOEHQGLPBQJT-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.53
Rot. Bonds5

About [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol

[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol (PubChem CID 43590501) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
PubChem CID43590501
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
SMILESCC(C)NCc1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-12(2)18-9-13-5-6-16(15(17)8-13)19-7-3-4-14(10-19)11-20/h5-6,8,12,14,18,20H,3-4,7,9-11H2,1-2H3
InChIKeyLREOEHQGLPBQJT-UHFFFAOYSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol (CID 43590501) is [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol is CC(C)NCc1ccc(N2CCCC(CO)C2)c(F)c1.
What is the InChIKey of [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol?
The InChIKey is LREOEHQGLPBQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)18-9-13-5-6-16(15(17)8-13)19-7-3-4-14(10-19)11-20/h5-6,8,12,14,18,20H,3-4,7,9-11H2,1-2H3.
What are the key properties of [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol?
[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol has a molecular weight of 280.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 43590501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).