1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol

C14H19BrFNO — CID 103657157

IUPAC1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFNO/c1-10(18)12-4-6-17(7-5-12)9-11-2-3-14(16)13(15)8-11/h2-3,8,10,12,18H,4-7,9H2,1H3
InChIKeyPAOVPFYQYWNRFR-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.18
Rot. Bonds3

About 1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol

1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol (PubChem CID 103657157) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
PubChem CID103657157
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H19BrFNO/c1-10(18)12-4-6-17(7-5-12)9-11-2-3-14(16)13(15)8-11/h2-3,8,10,12,18H,4-7,9H2,1H3
InChIKeyPAOVPFYQYWNRFR-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050
2-(3-bromo-4-fluorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 111434111
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylazepane
CID 63623198
1-[(3-bromo-4-fluorophenyl)methyl]-4-butan-2-ylpiperazine
CID 62772303
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177
methyl 2-fluoro-4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoate
CID 103749428
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
1-[(3-bromo-4-fluorophenyl)methyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77039195
1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine
CID 47646907
1-[1-[(3-amino-4-bromophenyl)methyl]pyrrolidin-3-yl]ethanol
CID 112624535

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol (CID 103657157) is 1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is PAOVPFYQYWNRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-10(18)12-4-6-17(7-5-12)9-11-2-3-14(16)13(15)8-11/h2-3,8,10,12,18H,4-7,9H2,1H3.
What are the key properties of 1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol?
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 316.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 103657157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).