N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C14H27F3N2O — CID 106640717

IUPACN-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCN(CCCOCC(F)(F)F)CC1CCCNC1
InChIInChI=1S/C14H27F3N2O/c1-2-7-19(11-13-5-3-6-18-10-13)8-4-9-20-12-14(15,16)17/h13,18H,2-12H2,1H3
InChIKeyWMHAGLPILZRZHK-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.67
Rot. Bonds9

About N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106640717) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106640717
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC NameN-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCN(CCCOCC(F)(F)F)CC1CCCNC1
InChIInChI=1S/C14H27F3N2O/c1-2-7-19(11-13-5-3-6-18-10-13)8-4-9-20-12-14(15,16)17/h13,18H,2-12H2,1H3
InChIKeyWMHAGLPILZRZHK-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-(piperidin-3-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropanamine
CID 106640104
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]piperidine
CID 55064528
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640432
N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine
CID 106640928
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640448
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640788
2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629
N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 79716520
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106640717) is N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCCN(CCCOCC(F)(F)F)CC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is WMHAGLPILZRZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-2-7-19(11-13-5-3-6-18-10-13)8-4-9-20-12-14(15,16)17/h13,18H,2-12H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 296.38 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106640717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).