3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

C13H25F3N2O — CID 63900069

IUPAC3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)NCC1CCCCN1CC(O)C(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-12(2,3)17-8-10-6-4-5-7-18(10)9-11(19)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3
InChIKeyOKZFZXRDDHEHPV-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.15
Rot. Bonds4

About 3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900069) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID63900069
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)NCC1CCCCN1CC(O)C(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-12(2,3)17-8-10-6-4-5-7-18(10)9-11(19)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3
InChIKeyOKZFZXRDDHEHPV-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 63900069) is 3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is CC(C)(C)NCC1CCCCN1CC(O)C(F)(F)F.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OKZFZXRDDHEHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-12(2,3)17-8-10-6-4-5-7-18(10)9-11(19)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3.
What are the key properties of 3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 282.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).