N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid

C14H18ClF3N2O2 — CID 69288908

IUPACN-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESClc1ccc(CNC2CCNCC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17ClN2.C2HF3O2/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12;3-2(4,5)1(6)7/h1-4,12,14-15H,5-9H2;(H,6,7)
InChIKeyQXBUZKHBHAYCMQ-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.81
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid

N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 69288908) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID69288908
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC NameN-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESClc1ccc(CNC2CCNCC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17ClN2.C2HF3O2/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12;3-2(4,5)1(6)7/h1-4,12,14-15H,5-9H2;(H,6,7)
InChIKeyQXBUZKHBHAYCMQ-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 69288908) is N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid is Clc1ccc(CNC2CCNCC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is QXBUZKHBHAYCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.C2HF3O2/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12;3-2(4,5)1(6)7/h1-4,12,14-15H,5-9H2;(H,6,7).
What are the key properties of N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 338.76 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69288908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).