N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine

C27H31FN2 — CID 118109040

IUPACN-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESFc1ccc(CN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H31FN2/c28-26-13-11-25(12-14-26)21-29-18-16-27(17-19-29)30(22-24-9-5-2-6-10-24)20-15-23-7-3-1-4-8-23/h1-14,27H,15-22H2
InChIKeyUVHYEOSWZRZAGX-UHFFFAOYSA-N
MW402.56 g/mol
LogP5.53
Rot. Bonds8

About N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine

N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 118109040) has the molecular formula C27H31FN2 and a molecular weight of 402.56 g/mol. Its IUPAC name is N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
PubChem CID118109040
Molecular FormulaC27H31FN2
Molecular Weight402.56 g/mol
Exact Mass402.25
IUPAC NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESFc1ccc(CN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H31FN2/c28-26-13-11-25(12-14-26)21-29-18-16-27(17-19-29)30(22-24-9-5-2-6-10-24)20-15-23-7-3-1-4-8-23/h1-14,27H,15-22H2
InChIKeyUVHYEOSWZRZAGX-UHFFFAOYSA-N
XLogP5.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (CID 118109040) is N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is Fc1ccc(CN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is UVHYEOSWZRZAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2/c28-26-13-11-25(12-14-26)21-29-18-16-27(17-19-29)30(22-24-9-5-2-6-10-24)20-15-23-7-3-1-4-8-23/h1-14,27H,15-22H2.
What are the key properties of N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 402.56 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 118109040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).