1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine

C15H20ClF3N2 — CID 60860788

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20ClF3N2/c1-2-7-20-11-5-8-21(9-6-11)12-3-4-14(16)13(10-12)15(17,18)19/h3-4,10-11,20H,2,5-9H2,1H3
InChIKeyMYKMNRPCGQJRCK-UHFFFAOYSA-N
MW320.79 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine

1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine (PubChem CID 60860788) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
PubChem CID60860788
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20ClF3N2/c1-2-7-20-11-5-8-21(9-6-11)12-3-4-14(16)13(10-12)15(17,18)19/h3-4,10-11,20H,2,5-9H2,1H3
InChIKeyMYKMNRPCGQJRCK-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine (CID 60860788) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine is CCCNC1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
The InChIKey is MYKMNRPCGQJRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-2-7-20-11-5-8-21(9-6-11)12-3-4-14(16)13(10-12)15(17,18)19/h3-4,10-11,20H,2,5-9H2,1H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine has a molecular weight of 320.79 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 60860788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).