1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol

C17H27FN2O — CID 106835544

IUPAC1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
SMILESCCC(N)C(c1ccc(F)cc1)N1CCC(C(C)O)CC1
InChIInChI=1S/C17H27FN2O/c1-3-16(19)17(14-4-6-15(18)7-5-14)20-10-8-13(9-11-20)12(2)21/h4-7,12-13,16-17,21H,3,8-11,19H2,1-2H3
InChIKeyWXZZRBTYWPHPPQ-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.70
Rot. Bonds5

About 1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol

1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol (PubChem CID 106835544) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
PubChem CID106835544
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
SMILESCCC(N)C(c1ccc(F)cc1)N1CCC(C(C)O)CC1
InChIInChI=1S/C17H27FN2O/c1-3-16(19)17(14-4-6-15(18)7-5-14)20-10-8-13(9-11-20)12(2)21/h4-7,12-13,16-17,21H,3,8-11,19H2,1-2H3
InChIKeyWXZZRBTYWPHPPQ-UHFFFAOYSA-N
XLogP2.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312
1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol
CID 106835579
[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624411
1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975
1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505245
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504
1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505296
1-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-2-amine
CID 62329945
1-(4-fluorophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-amine
CID 62987204
1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964938
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
CID 62941502
1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine
CID 55016632

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol (CID 106835544) is 1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol is CCC(N)C(c1ccc(F)cc1)N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol?
The InChIKey is WXZZRBTYWPHPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-16(19)17(14-4-6-15(18)7-5-14)20-10-8-13(9-11-20)12(2)21/h4-7,12-13,16-17,21H,3,8-11,19H2,1-2H3.
What are the key properties of 1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol?
1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol has a molecular weight of 294.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106835544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).