N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine

C14H25F3N2 — CID 142906916

IUPACN-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine
SMILESCC(C)CN(CC/C=C/C(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H25F3N2/c1-12(2)11-19(13-5-8-18-9-6-13)10-4-3-7-14(15,16)17/h3,7,12-13,18H,4-6,8-11H2,1-2H3/b7-3+
InChIKeyWCFAIZCFLOCBAX-XVNBXDOJSA-N
MW278.36 g/mol
LogP3.20
Rot. Bonds6

About N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine

N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine (PubChem CID 142906916) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine
PubChem CID142906916
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine
SMILESCC(C)CN(CC/C=C/C(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H25F3N2/c1-12(2)11-19(13-5-8-18-9-6-13)10-4-3-7-14(15,16)17/h3,7,12-13,18H,4-6,8-11H2,1-2H3/b7-3+
InChIKeyWCFAIZCFLOCBAX-XVNBXDOJSA-N
XLogP3.20
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 ≤ 53.20
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

1,1,1-trifluoro-3-[2-hydroxyethyl(piperidin-4-yl)amino]propan-2-ol
CID 126847022
N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane
CID 142906928
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106732675
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine
CID 116680263
(E)-but-2-enedioic acid;N-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 161190083
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
N-(2-bromo-3,3,3-trifluoropropyl)-N-(2-methylpropyl)cyclopropanamine
CID 64758757
N-(2-methylpropyl)-N-[(2,3,6-trichlorophenyl)methyl]piperidin-4-amine
CID 58624363
N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062877
N,N-diethyl-N'-piperidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 64852960

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine (CID 142906916) is N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine is CC(C)CN(CC/C=C/C(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine?
The InChIKey is WCFAIZCFLOCBAX-XVNBXDOJSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-12(2)11-19(13-5-8-18-9-6-13)10-4-3-7-14(15,16)17/h3,7,12-13,18H,4-6,8-11H2,1-2H3/b7-3+.
What are the key properties of N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine?
N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(E)-5,5,5-trifluoropent-3-enyl]piperidin-4-amine is sourced from PubChem (CID 142906916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).