4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol

C16H23FN2O — CID 104869103

IUPAC4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol
SMILESOc1ccc(F)cc1CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H23FN2O/c17-14-3-4-16(20)13(10-14)11-19-8-5-12(6-9-19)15-2-1-7-18-15/h3-4,10,12,15,18,20H,1-2,5-9,11H2
InChIKeyMPPRCNLWYSHTGZ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.50
Rot. Bonds3

About 4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol

4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol (PubChem CID 104869103) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol
PubChem CID104869103
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol
SMILESOc1ccc(F)cc1CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H23FN2O/c17-14-3-4-16(20)13(10-14)11-19-8-5-12(6-9-19)15-2-1-7-18-15/h3-4,10,12,15,18,20H,1-2,5-9,11H2
InChIKeyMPPRCNLWYSHTGZ-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63259218
1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 102616953
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-methylphenol
CID 102678436
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 107701911
4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 71535785
(4aS,7aS)-6-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 113346131
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
3-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-1,4-diazepane
CID 105375757
3-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-1,4-diazepane
CID 64869739
(4aS,7aS)-6-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103887190

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol (CID 104869103) is 4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol is Oc1ccc(F)cc1CN1CCC(C2CCCN2)CC1.
What is the InChIKey of 4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol?
The InChIKey is MPPRCNLWYSHTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-14-3-4-16(20)13(10-14)11-19-8-5-12(6-9-19)15-2-1-7-18-15/h3-4,10,12,15,18,20H,1-2,5-9,11H2.
What are the key properties of 4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol?
4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol has a molecular weight of 278.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 104869103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).