1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine

C14H23F3N2 — CID 106210397

IUPAC1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H23F3N2/c1-11(2)3-8-19-9-4-12(5-10-19)18-13(6-7-13)14(15,16)17/h3,12,18H,4-10H2,1-2H3
InChIKeyREMDXOQBBBGLKH-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.10
Rot. Bonds4

About 1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine

1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine (PubChem CID 106210397) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine
PubChem CID106210397
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H23F3N2/c1-11(2)3-8-19-9-4-12(5-10-19)18-13(6-7-13)14(15,16)17/h3,12,18H,4-10H2,1-2H3
InChIKeyREMDXOQBBBGLKH-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.10
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

(3R,4S)-3-fluoro-N-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]piperidin-4-amine
CID 137547755
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755088
1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226114
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070855
N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070858
N-[2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine
CID 103070859
N-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070861
N-tert-butyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070863
N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine
CID 103070865
1-(3-methylbut-2-enyl)-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
CID 103529443
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutan-2-yl)piperidin-4-amine
CID 103782629

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine (CID 106210397) is 1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine is CC(C)=CCN1CCC(NC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine?
The InChIKey is REMDXOQBBBGLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-11(2)3-8-19-9-4-12(5-10-19)18-13(6-7-13)14(15,16)17/h3,12,18H,4-10H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine has a molecular weight of 276.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine is sourced from PubChem (CID 106210397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).