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

C9H17F3N2O — CID 103366159

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol
SMILESNCC(CN1CCCC(O)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7(4-13)5-14-3-1-2-8(15)6-14/h7-8,15H,1-6,13H2
InChIKeyQCRYENOOVRRBPK-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.58
Rot. Bonds3

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

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol (PubChem CID 103366159) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol
PubChem CID103366159
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol
SMILESNCC(CN1CCCC(O)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7(4-13)5-14-3-1-2-8(15)6-14/h7-8,15H,1-6,13H2
InChIKeyQCRYENOOVRRBPK-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol
CID 116991251
5,5-Difluoropiperidin-3-ol
CID 55297102
4,4-Difluoropiperidin-3-ol
CID 58110393
(3R,5S)-5-(trifluoromethyl)piperidin-3-ol
CID 69811413
5-Trifluoromethyl-piperidin-3-ol
CID 69811415
(3s,5r)-5-(Trifluoromethyl)piperidin-3-ol
CID 69811417
4-(Trifluoromethyl)piperidin-3-OL
CID 82597852
(S)-4,4-Difluoropiperidin-3-ol
CID 90284915
(S)-5,5-Difluoro-piperidin-3-ol
CID 97359028
(R)-5,5-Difluoro-piperidin-3-ol
CID 97359029
5-(Difluoromethyl)piperidin-3-ol
CID 126672556
(3S)-5-(trifluoromethyl)piperidin-3-ol
CID 126716191

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol (CID 103366159) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol is NCC(CN1CCCC(O)C1)C(F)(F)F.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol?
The InChIKey is QCRYENOOVRRBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)7(4-13)5-14-3-1-2-8(15)6-14/h7-8,15H,1-6,13H2.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-ol has a molecular weight of 226.24 g/mol, XLogP of 0.58, 3 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-3-ol is sourced from PubChem (CID 103366159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).