N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane

C18H27F3N2O — CID 91131004

IUPACN-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane
SMILESC=C(NC1CCN(CCC)CC1)c1ccccc1.COC(F)(F)F
InChIInChI=1S/C16H24N2.C2H3F3O/c1-3-11-18-12-9-16(10-13-18)17-14(2)15-7-5-4-6-8-15;1-6-2(3,4)5/h4-8,16-17H,2-3,9-13H2,1H3;1H3
InChIKeyKSJZNDJREDBKDQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.27
Rot. Bonds5

About N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane

N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane (PubChem CID 91131004) has the molecular formula C18H27F3N2O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane.

Molecular Properties

Compound NameN-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane
PubChem CID91131004
Molecular FormulaC18H27F3N2O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC NameN-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane
SMILESC=C(NC1CCN(CCC)CC1)c1ccccc1.COC(F)(F)F
InChIInChI=1S/C16H24N2.C2H3F3O/c1-3-11-18-12-9-16(10-13-18)17-14(2)15-7-5-4-6-8-15;1-6-2(3,4)5/h4-8,16-17H,2-3,9-13H2,1H3;1H3
InChIKeyKSJZNDJREDBKDQ-UHFFFAOYSA-N
XLogP4.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-piperidylamine
CID 415852
N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773
Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
1-(2-phenylethyl)-N-[3-(trifluoromethyl)benzyl]-4-piperidinamine
CID 26458299
1-Benzyl-N-(2-cyclopentylidene-2-fluoroethyl)-4-piperidinamine
CID 23646086
1-Benzyl-N-(2-cyclohexylidene-2-fluoroethyl)-4-piperidinamine
CID 23646098
N-(3-fluorobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 782100
1-benzyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 784043
1-benzyl-N-[1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 5122868

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane?
The IUPAC name of N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane (CID 91131004) is N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane.
What is the SMILES notation for N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane?
The canonical SMILES for N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane is C=C(NC1CCN(CCC)CC1)c1ccccc1.COC(F)(F)F.
What is the InChIKey of N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane?
The InChIKey is KSJZNDJREDBKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.C2H3F3O/c1-3-11-18-12-9-16(10-13-18)17-14(2)15-7-5-4-6-8-15;1-6-2(3,4)5/h4-8,16-17H,2-3,9-13H2,1H3;1H3.
What are the key properties of N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane?
N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane has a molecular weight of 344.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane is sourced from PubChem (CID 91131004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).