6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride

C26H30ClFN2 — CID 45260682

IUPAC6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride
SMILESCl.Fc1ccc(CCNC2CCC(C(c3ccccc3)c3ccccc3)NC2)cc1
InChIInChI=1S/C26H29FN2.ClH/c27-23-13-11-20(12-14-23)17-18-28-24-15-16-25(29-19-24)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-14,24-26,28-29H,15-19H2;1H
InChIKeyQPSZDZRZRQLSCI-UHFFFAOYSA-N
MW424.99 g/mol
LogP5.33
Rot. Bonds7

About 6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride

6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride (PubChem CID 45260682) has the molecular formula C26H30ClFN2 and a molecular weight of 424.99 g/mol. Its IUPAC name is 6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride
PubChem CID45260682
Molecular FormulaC26H30ClFN2
Molecular Weight424.99 g/mol
Exact Mass424.21
IUPAC Name6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride
SMILESCl.Fc1ccc(CCNC2CCC(C(c3ccccc3)c3ccccc3)NC2)cc1
InChIInChI=1S/C26H29FN2.ClH/c27-23-13-11-20(12-14-23)17-18-28-24-15-16-25(29-19-24)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-14,24-26,28-29H,15-19H2;1H
InChIKeyQPSZDZRZRQLSCI-UHFFFAOYSA-N
XLogP5.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.99
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride?
The IUPAC name of 6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride (CID 45260682) is 6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for 6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for 6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride is Cl.Fc1ccc(CCNC2CCC(C(c3ccccc3)c3ccccc3)NC2)cc1.
What is the InChIKey of 6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride?
The InChIKey is QPSZDZRZRQLSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2.ClH/c27-23-13-11-20(12-14-23)17-18-28-24-15-16-25(29-19-24)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-14,24-26,28-29H,15-19H2;1H.
What are the key properties of 6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride?
6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride has a molecular weight of 424.99 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydryl-N-[2-(4-fluorophenyl)ethyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 45260682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).