N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine

C21H27FN2 — CID 119164826

IUPACN-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESFc1cccc(CCNC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C21H27FN2/c22-20-8-4-7-19(17-20)9-13-23-21-11-15-24(16-12-21)14-10-18-5-2-1-3-6-18/h1-8,17,21,23H,9-16H2
InChIKeyRNBVDQUISXTGJA-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.66
Rot. Bonds7

About N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine

N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 119164826) has the molecular formula C21H27FN2 and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
PubChem CID119164826
Molecular FormulaC21H27FN2
Molecular Weight326.46 g/mol
Exact Mass326.22
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESFc1cccc(CCNC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C21H27FN2/c22-20-8-4-7-19(17-20)9-13-23-21-11-15-24(16-12-21)14-10-18-5-2-1-3-6-18/h1-8,17,21,23H,9-16H2
InChIKeyRNBVDQUISXTGJA-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
CID 43566257
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine
CID 65070357
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776
1-[2-(4-fluorophenyl)ethyl]-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 75382354
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109233

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine (CID 119164826) is N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine is Fc1cccc(CCNC2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is RNBVDQUISXTGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2/c22-20-8-4-7-19(17-20)9-13-23-21-11-15-24(16-12-21)14-10-18-5-2-1-3-6-18/h1-8,17,21,23H,9-16H2.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 326.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 119164826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).