1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol

Name: 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₇F₃N₂O — CID 63901063

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol

SMILESCN1CCC(NCC(O)C(F)(F)F)CC1

InChIInChI=1S/C9H17F3N2O/c1-14-4-2-7(3-5-14)13-6-8(15)9(10,11)12/h7-8,13,15H,2-6H2,1H3

InChIKeyXGORAEYEECXXHY-UHFFFAOYSA-N

MW226.24 g/mol

LogP0.59

Rot. Bonds3

About 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 63901063) has the molecular formula C₉H₁₇F₃N₂O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name	1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
PubChem CID	63901063
Molecular Formula	C₉H₁₇F₃N₂O
Molecular Weight	226.24 g/mol
Exact Mass	226.13
IUPAC Name	1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILES	CN1CCC(NCC(O)C(F)(F)F)CC1
InChI	InChI=1S/C9H17F3N2O/c1-14-4-2-7(3-5-14)13-6-8(15)9(10,11)12/h7-8,13,15H,2-6H2,1H3
InChIKey	XGORAEYEECXXHY-UHFFFAOYSA-N
XLogP	0.59
TPSA	35.50 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.24
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?

The IUPAC name of 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol (CID 63901063) is 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol.

What is the SMILES notation for 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?

The canonical SMILES for 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol is CN1CCC(NCC(O)C(F)(F)F)CC1.

What is the InChIKey of 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?

The InChIKey is XGORAEYEECXXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-14-4-2-7(3-5-14)13-6-8(15)9(10,11)12/h7-8,13,15H,2-6H2,1H3.

What are the key properties of 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?

1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 226.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 63901063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 63901063 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.