1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine

C15H23FN2 — CID 116906832

IUPAC1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
SMILESCN(C)C(CC1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2/c1-18(2)15(10-12-4-3-9-17-11-12)13-5-7-14(16)8-6-13/h5-8,12,15,17H,3-4,9-11H2,1-2H3
InChIKeyZOPBYVLWFIJIQS-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.82
Rot. Bonds4

About 1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine

1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine (PubChem CID 116906832) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
PubChem CID116906832
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
SMILESCN(C)C(CC1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2/c1-18(2)15(10-12-4-3-9-17-11-12)13-5-7-14(16)8-6-13/h5-8,12,15,17H,3-4,9-11H2,1-2H3
InChIKeyZOPBYVLWFIJIQS-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906835
1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906841
N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116906713
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623943
1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 120849617
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine
CID 116906723
N,N-dimethyl-1-phenyl-2-piperidin-4-ylethanamine
CID 116906872
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
CID 116936332

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine (CID 116906832) is 1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine is CN(C)C(CC1CCCNC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The InChIKey is ZOPBYVLWFIJIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(2)15(10-12-4-3-9-17-11-12)13-5-7-14(16)8-6-13/h5-8,12,15,17H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine is sourced from PubChem (CID 116906832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).