N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H18ClF3N2O — CID 107270525

IUPACN-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(CC(F)(F)F)CC2)ccc1Cl
InChIInChI=1S/C14H18ClF3N2O/c1-21-13-8-11(2-3-12(13)15)19-10-4-6-20(7-5-10)9-14(16,17)18/h2-3,8,10,19H,4-7,9H2,1H3
InChIKeyPVLBTOOXZKXMTD-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.79
Rot. Bonds4

About N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 107270525) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID107270525
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC NameN-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(CC(F)(F)F)CC2)ccc1Cl
InChIInChI=1S/C14H18ClF3N2O/c1-21-13-8-11(2-3-12(13)15)19-10-4-6-20(7-5-10)9-14(16,17)18/h2-3,8,10,19H,4-7,9H2,1H3
InChIKeyPVLBTOOXZKXMTD-UHFFFAOYSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 107270525) is N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is COc1cc(NC2CCN(CC(F)(F)F)CC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is PVLBTOOXZKXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-21-13-8-11(2-3-12(13)15)19-10-4-6-20(7-5-10)9-14(16,17)18/h2-3,8,10,19H,4-7,9H2,1H3.
What are the key properties of N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 322.76 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 107270525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).