1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)

C19H26F6N2O4 — CID 22254657

IUPAC1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(CCN1CCC(N)CC1)c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N2.2C2HF3O2/c1-13(14-5-3-2-4-6-14)7-10-17-11-8-15(16)9-12-17;2*3-2(4,5)1(6)7/h2-6,13,15H,7-12,16H2,1H3;2*(H,6,7)
InChIKeyGRXVJWOKRXLNSK-UHFFFAOYSA-N
MW460.42 g/mol
LogP3.87
Rot. Bonds4

About 1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)

1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 22254657) has the molecular formula C19H26F6N2O4 and a molecular weight of 460.42 g/mol. Its IUPAC name is 1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID22254657
Molecular FormulaC19H26F6N2O4
Molecular Weight460.42 g/mol
Exact Mass460.18
IUPAC Name1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(CCN1CCC(N)CC1)c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N2.2C2HF3O2/c1-13(14-5-3-2-4-6-14)7-10-17-11-8-15(16)9-12-17;2*3-2(4,5)1(6)7/h2-6,13,15H,7-12,16H2,1H3;2*(H,6,7)
InChIKeyGRXVJWOKRXLNSK-UHFFFAOYSA-N
XLogP3.87
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-but-2-enedioic acid;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 44411227
(E)-but-2-enedioic acid;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-propylpiperidin-4-amine
CID 44411509
(E)-but-2-enedioic acid;N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 9867349
(E)-but-2-enedioic acid;N-(2-ethylbutyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 44411176
(E)-but-2-enedioic acid;N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 44411216
(E)-but-2-enedioic acid;N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 44411513
(E)-but-2-enedioic acid;N-butyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 44411525
1-(cyclohexylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536486
1-(cyclohexylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536488
1-hexyl-N-[(4-methylphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536500
1-hexyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536502
1-hexyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536504

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 22254657) is 1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) is CC(CCN1CCC(N)CC1)c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is GRXVJWOKRXLNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.2C2HF3O2/c1-13(14-5-3-2-4-6-14)7-10-17-11-8-15(16)9-12-17;2*3-2(4,5)1(6)7/h2-6,13,15H,7-12,16H2,1H3;2*(H,6,7).
What are the key properties of 1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 460.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylbutyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 22254657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).