N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine

C14H25F3N2 — CID 103070858

IUPACN-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2/c1-11(8-18-13(2,3)4)9-19-7-5-6-12(10-19)14(15,16)17/h12,18H,1,5-10H2,2-4H3
InChIKeyBLNNIELALNHTLE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.20
Rot. Bonds4

About N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine

N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070858) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070858
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2/c1-11(8-18-13(2,3)4)9-19-7-5-6-12(10-19)14(15,16)17/h12,18H,1,5-10H2,2-4H3
InChIKeyBLNNIELALNHTLE-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine
CID 134594767
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755088
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 55220495
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 62556590
N-tert-butyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 62568226
2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine
CID 62568746
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62591296
1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226114
2-methyl-N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]propan-2-amine
CID 64565056
N-tert-butyl-2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 65530292
N-tert-butyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
CID 65530534
N-tert-butyl-3-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 65531695

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (CID 103070858) is N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is BLNNIELALNHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-11(8-18-13(2,3)4)9-19-7-5-6-12(10-19)14(15,16)17/h12,18H,1,5-10H2,2-4H3.
What are the key properties of N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).