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

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

C₁₁H₂₁F₃N₂O — CID 63902124

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

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

SMILESCCCN(CC(O)C(F)(F)F)C1CCNCC1

InChIInChI=1S/C11H21F3N2O/c1-2-7-16(8-10(17)11(12,13)14)9-3-5-15-6-4-9/h9-10,15,17H,2-8H2,1H3

InChIKeyNOUXRMOTBNMKKP-UHFFFAOYSA-N

MW254.30 g/mol

LogP1.37

Rot. Bonds5

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

1,1,1-trifluoro-3-[piperidin-4-yl(propyl)amino]propan-2-ol (PubChem CID 63902124) has the molecular formula C₁₁H₂₁F₃N₂O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[piperidin-4-yl(propyl)amino]propan-2-ol.

Molecular Properties

Compound Name	1,1,1-trifluoro-3-[piperidin-4-yl(propyl)amino]propan-2-ol
PubChem CID	63902124
Molecular Formula	C₁₁H₂₁F₃N₂O
Molecular Weight	254.30 g/mol
Exact Mass	254.16
IUPAC Name	1,1,1-trifluoro-3-[piperidin-4-yl(propyl)amino]propan-2-ol
SMILES	CCCN(CC(O)C(F)(F)F)C1CCNCC1
InChI	InChI=1S/C11H21F3N2O/c1-2-7-16(8-10(17)11(12,13)14)9-3-5-15-6-4-9/h9-10,15,17H,2-8H2,1H3
InChIKey	NOUXRMOTBNMKKP-UHFFFAOYSA-N
XLogP	1.37
TPSA	35.50 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.30
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1,1,1-trifluoro-3-[piperidin-4-yl(propyl)amino]propan-2-ol (CID 63902124) is 1,1,1-trifluoro-3-[piperidin-4-yl(propyl)amino]propan-2-ol.

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

The canonical SMILES for 1,1,1-trifluoro-3-[piperidin-4-yl(propyl)amino]propan-2-ol is CCCN(CC(O)C(F)(F)F)C1CCNCC1.

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

The InChIKey is NOUXRMOTBNMKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-7-16(8-10(17)11(12,13)14)9-3-5-15-6-4-9/h9-10,15,17H,2-8H2,1H3.

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

1,1,1-trifluoro-3-[piperidin-4-yl(propyl)amino]propan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.37, 5 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-[piperidin-4-yl(propyl)amino]propan-2-ol is sourced from PubChem (CID 63902124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63902124 — identifiers, structure, computed properties (public domain)

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