N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine

C20H25FN2 — CID 84753885

IUPACN-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine
SMILESFc1ccc(CNCCc2ccccc2)cc1N1CCCCC1
InChIInChI=1S/C20H25FN2/c21-19-10-9-18(15-20(19)23-13-5-2-6-14-23)16-22-12-11-17-7-3-1-4-8-17/h1,3-4,7-10,15,22H,2,5-6,11-14,16H2
InChIKeyCUXQSHJLJWULLT-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.15
Rot. Bonds6

About N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine

N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine (PubChem CID 84753885) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine
PubChem CID84753885
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC NameN-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine
SMILESFc1ccc(CNCCc2ccccc2)cc1N1CCCCC1
InChIInChI=1S/C20H25FN2/c21-19-10-9-18(15-20(19)23-13-5-2-6-14-23)16-22-12-11-17-7-3-1-4-8-17/h1,3-4,7-10,15,22H,2,5-6,11-14,16H2
InChIKeyCUXQSHJLJWULLT-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378279
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 84753243
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]-3-ethoxypropan-1-amine
CID 84753248
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine
CID 84753234
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84753903
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 84753615
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]butan-2-amine
CID 84753227
N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 84753782
N-[[4-(azocan-1-yl)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63060536
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 84753620
3-[[4-fluoro-3-(4-methylpiperidin-1-yl)phenyl]methylamino]propanoic acid
CID 84753389

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine (CID 84753885) is N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine is Fc1ccc(CNCCc2ccccc2)cc1N1CCCCC1.
What is the InChIKey of N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine?
The InChIKey is CUXQSHJLJWULLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c21-19-10-9-18(15-20(19)23-13-5-2-6-14-23)16-22-12-11-17-7-3-1-4-8-17/h1,3-4,7-10,15,22H,2,5-6,11-14,16H2.
What are the key properties of N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine?
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine has a molecular weight of 312.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 84753885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).