N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine

C27H31FN2 — CID 165361568

IUPACN-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine
SMILESFc1ccc(N(CCc2ccccc2)C2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C27H31FN2/c28-25-11-13-26(14-12-25)30(22-16-24-9-5-2-6-10-24)27-17-20-29(21-18-27)19-15-23-7-3-1-4-8-23/h1-14,27H,15-22H2
InChIKeyCZUZIKHDUIGZCQ-UHFFFAOYSA-N
MW402.56 g/mol
LogP5.58
Rot. Bonds8

About N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine

N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine (PubChem CID 165361568) has the molecular formula C27H31FN2 and a molecular weight of 402.56 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine
PubChem CID165361568
Molecular FormulaC27H31FN2
Molecular Weight402.56 g/mol
Exact Mass402.25
IUPAC NameN-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine
SMILESFc1ccc(N(CCc2ccccc2)C2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C27H31FN2/c28-25-11-13-26(14-12-25)30(22-16-24-9-5-2-6-10-24)27-17-20-29(21-18-27)19-15-23-7-3-1-4-8-23/h1-14,27H,15-22H2
InChIKeyCZUZIKHDUIGZCQ-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine (CID 165361568) is N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine is Fc1ccc(N(CCc2ccccc2)C2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine?
The InChIKey is CZUZIKHDUIGZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2/c28-25-11-13-26(14-12-25)30(22-16-24-9-5-2-6-10-24)27-17-20-29(21-18-27)19-15-23-7-3-1-4-8-23/h1-14,27H,15-22H2.
What are the key properties of N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine?
N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine has a molecular weight of 402.56 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N,1-bis(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 165361568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).