3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol

C15H23FN2O — CID 83977158

IUPAC3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol
SMILESNCC(CO)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2O/c16-15-3-1-12(2-4-15)10-18-7-5-13(6-8-18)14(9-17)11-19/h1-4,13-14,19H,5-11,17H2
InChIKeyZTXNUEFMCDOHKI-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.60
Rot. Bonds5

About 3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol

3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol (PubChem CID 83977158) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol
PubChem CID83977158
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol
SMILESNCC(CO)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2O/c16-15-3-1-12(2-4-15)10-18-7-5-13(6-8-18)14(9-17)11-19/h1-4,13-14,19H,5-11,17H2
InChIKeyZTXNUEFMCDOHKI-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol
CID 83977147
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983298
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761
2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
CID 82075851
N,N-diethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 168961754
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperidine
CID 174420466
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
CID 83983286
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol?
The IUPAC name of 3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol (CID 83977158) is 3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for 3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol is NCC(CO)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol?
The InChIKey is ZTXNUEFMCDOHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c16-15-3-1-12(2-4-15)10-18-7-5-13(6-8-18)14(9-17)11-19/h1-4,13-14,19H,5-11,17H2.
What are the key properties of 3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol?
3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 83977158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).