[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine

C10H19F3N2 — CID 18678636

IUPAC[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c11-10(12,13)4-1-5-15-6-2-9(8-14)3-7-15/h9H,1-8,14H2
InChIKeyGNAALPIWFWBFES-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds4

About [1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine

[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine (PubChem CID 18678636) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is [1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine
PubChem CID18678636
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c11-10(12,13)4-1-5-15-6-2-9(8-14)3-7-15/h9H,1-8,14H2
InChIKeyGNAALPIWFWBFES-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoromethyl)piperidine
CID 136469
1-Methylpiperidine-4-methylamine
CID 81574
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
Dimethyl(2-(piperidin-4-yl)ethyl)amine
CID 1415681
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
4-(2-Diethylaminoethyl)piperidine
CID 296294
2-(1-Ethylpiperidin-4-yl)ethan-1-amine
CID 21643902
[1-(3-Methylbutyl)piperidin-4-yl]methanamine
CID 24274890
(1-Ethylpiperidin-4-yl)methanamine
CID 2794704
(1-Propylpiperidin-4-yl)methanamine
CID 3164324
4-(4-Methylpiperidin-1-yl)butan-1-amine
CID 7138415
4-Aminomethyl-1-N-butylpiperidine
CID 10442133

Frequently Asked Questions

What is the IUPAC name of [1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine (CID 18678636) is [1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine is NCC1CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of [1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine?
The InChIKey is GNAALPIWFWBFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c11-10(12,13)4-1-5-15-6-2-9(8-14)3-7-15/h9H,1-8,14H2.
What are the key properties of [1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine?
[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine has a molecular weight of 224.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 18678636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).