1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine

C15H22ClFN2 — CID 81159903

IUPAC1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine
SMILESCC(C)(C)N1CCCC(N)C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-15(2,3)19-8-4-5-13(18)14(19)10-6-7-12(17)11(16)9-10/h6-7,9,13-14H,4-5,8,18H2,1-3H3
InChIKeyPDLFDHNTLSWUQS-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.74
Rot. Bonds1

About 1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine

1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine (PubChem CID 81159903) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine
PubChem CID81159903
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine
SMILESCC(C)(C)N1CCCC(N)C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-15(2,3)19-8-4-5-13(18)14(19)10-6-7-12(17)11(16)9-10/h6-7,9,13-14H,4-5,8,18H2,1-3H3
InChIKeyPDLFDHNTLSWUQS-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine?
The IUPAC name of 1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine (CID 81159903) is 1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine.
What is the SMILES notation for 1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine?
The canonical SMILES for 1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine is CC(C)(C)N1CCCC(N)C1c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine?
The InChIKey is PDLFDHNTLSWUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-15(2,3)19-8-4-5-13(18)14(19)10-6-7-12(17)11(16)9-10/h6-7,9,13-14H,4-5,8,18H2,1-3H3.
What are the key properties of 1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine?
1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine has a molecular weight of 284.81 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine is sourced from PubChem (CID 81159903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).