4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine

C12H23F3N2 — CID 115516388

IUPAC4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine
SMILESCC(CC1CCCCN1)NCCCC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-10(9-11-5-2-3-7-17-11)16-8-4-6-12(13,14)15/h10-11,16-17H,2-9H2,1H3
InChIKeyVLRKTQYUIKOETO-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.84
Rot. Bonds6

About 4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine

4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine (PubChem CID 115516388) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine
PubChem CID115516388
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine
SMILESCC(CC1CCCCN1)NCCCC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-10(9-11-5-2-3-7-17-11)16-8-4-6-12(13,14)15/h10-11,16-17H,2-9H2,1H3
InChIKeyVLRKTQYUIKOETO-UHFFFAOYSA-N
XLogP2.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79539962
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
1-piperidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 79549233
N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
N-(2-cyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541627
1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
CID 79560276
N-[3-[1-(azepan-2-yl)propan-2-ylamino]propyl]methanesulfonamide
CID 106333370
1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
CID 82711010

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine (CID 115516388) is 4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine is CC(CC1CCCCN1)NCCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine?
The InChIKey is VLRKTQYUIKOETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10(9-11-5-2-3-7-17-11)16-8-4-6-12(13,14)15/h10-11,16-17H,2-9H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine?
4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 115516388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).