N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H23F3N2O — CID 79716520

IUPACN-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCN(CCCOCC(F)(F)F)CC1CCNCC1
InChIInChI=1S/C12H23F3N2O/c1-17(9-11-3-5-16-6-4-11)7-2-8-18-10-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyVOSJMNAOLAXUPI-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds7

About N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 79716520) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID79716520
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCN(CCCOCC(F)(F)F)CC1CCNCC1
InChIInChI=1S/C12H23F3N2O/c1-17(9-11-3-5-16-6-4-11)7-2-8-18-10-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyVOSJMNAOLAXUPI-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
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

4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine
CID 62340553
N-methyl-N-(piperidin-4-ylmethyl)pent-4-en-1-amine
CID 79716294
N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55002465
4-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 55006281
(2S)-1-[4-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95327699
N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106640717
4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine
CID 106937702
3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine
CID 84674397
N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61491666
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 63274728
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 103181621
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 65178290

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 79716520) is N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CN(CCCOCC(F)(F)F)CC1CCNCC1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is VOSJMNAOLAXUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-17(9-11-3-5-16-6-4-11)7-2-8-18-10-12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 79716520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).