N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C14H25F3N2 — CID 55178184

IUPACN-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCCC1(CN(CC(F)(F)F)C2CC2)CCNCC1
InChIInChI=1S/C14H25F3N2/c1-2-5-13(6-8-18-9-7-13)10-19(12-3-4-12)11-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyUJIQZLKSUSVSHP-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds6

About N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 55178184) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID55178184
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCCC1(CN(CC(F)(F)F)C2CC2)CCNCC1
InChIInChI=1S/C14H25F3N2/c1-2-5-13(6-8-18-9-7-13)10-19(12-3-4-12)11-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyUJIQZLKSUSVSHP-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 55178184) is N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCCC1(CN(CC(F)(F)F)C2CC2)CCNCC1.
What is the InChIKey of N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is UJIQZLKSUSVSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-2-5-13(6-8-18-9-7-13)10-19(12-3-4-12)11-14(15,16)17/h12,18H,2-11H2,1H3.
What are the key properties of N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 55178184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).