N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine

C22H29FN2 — CID 10664892

IUPACN-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine
SMILESCC(NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H29FN2/c1-18(21-5-3-2-4-6-21)24-14-11-19-12-15-25(16-13-19)17-20-7-9-22(23)10-8-20/h2-10,18-19,24H,11-17H2,1H3
InChIKeyCKWMLGIMMOPFQE-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.78
Rot. Bonds7

About N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine

N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine (PubChem CID 10664892) has the molecular formula C22H29FN2 and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine
PubChem CID10664892
Molecular FormulaC22H29FN2
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC NameN-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine
SMILESCC(NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H29FN2/c1-18(21-5-3-2-4-6-21)24-14-11-19-12-15-25(16-13-19)17-20-7-9-22(23)10-8-20/h2-10,18-19,24H,11-17H2,1H3
InChIKeyCKWMLGIMMOPFQE-UHFFFAOYSA-N
XLogP4.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine?
The IUPAC name of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine (CID 10664892) is N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine?
The canonical SMILES for N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine is CC(NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine?
The InChIKey is CKWMLGIMMOPFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2/c1-18(21-5-3-2-4-6-21)24-14-11-19-12-15-25(16-13-19)17-20-7-9-22(23)10-8-20/h2-10,18-19,24H,11-17H2,1H3.
What are the key properties of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine?
N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine has a molecular weight of 340.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-1-phenylethanamine is sourced from PubChem (CID 10664892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).