2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

C9H17F3N2 — CID 60891390

IUPAC2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCN(CC1CCNCC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)6-8-2-4-13-5-3-8/h8,13H,2-7H2,1H3
InChIKeyLZCRRVNKEPRPRW-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.48
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 60891390) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID60891390
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCN(CC1CCNCC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)6-8-2-4-13-5-3-8/h8,13H,2-7H2,1H3
InChIKeyLZCRRVNKEPRPRW-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoromethyl)piperidine
CID 136469
Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
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
Dimethyl(2-(piperidin-3-yl)ethyl)amine
CID 21186415
2-(1-Ethylpiperidin-4-yl)ethan-1-amine
CID 21643902
[1-(3-Methylbutyl)piperidin-4-yl]methanamine
CID 24274890
N-(piperidin-4-ylmethyl)pentan-1-amine
CID 44592949
(1-Ethylpiperidin-4-yl)methanamine
CID 2794704

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (CID 60891390) is 2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is CN(CC1CCNCC1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is LZCRRVNKEPRPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)6-8-2-4-13-5-3-8/h8,13H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 210.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 60891390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).