[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol

C10H19F3N2O — CID 103366192

IUPAC[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol
SMILESNCC(CN1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8(5-14)6-15-4-2-1-3-9(15)7-16/h8-9,16H,1-7,14H2
InChIKeyINPSTOIFYPQFMN-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds4

About [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol

[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol (PubChem CID 103366192) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol
PubChem CID103366192
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol
SMILESNCC(CN1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8(5-14)6-15-4-2-1-3-9(15)7-16/h8-9,16H,1-7,14H2
InChIKeyINPSTOIFYPQFMN-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol (CID 103366192) is [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol is NCC(CN1CCCCC1CO)C(F)(F)F.
What is the InChIKey of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol?
The InChIKey is INPSTOIFYPQFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)8(5-14)6-15-4-2-1-3-9(15)7-16/h8-9,16H,1-7,14H2.
What are the key properties of [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol?
[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol has a molecular weight of 240.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-2-yl]methanol is sourced from PubChem (CID 103366192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).