4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine

C12H23F3N2 — CID 113440626

IUPAC4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
SMILESCC(CCCN)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-10(4-2-6-16)8-17-7-3-5-11(9-17)12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyXBVXVEKMDAKLJA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.64
Rot. Bonds5

About 4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine

4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine (PubChem CID 113440626) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
PubChem CID113440626
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
SMILESCC(CCCN)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-10(4-2-6-16)8-17-7-3-5-11(9-17)12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyXBVXVEKMDAKLJA-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
3-(Trifluoromethyl)piperidine
CID 2760776
3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine
CID 6487611
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
(1-Methylpiperidin-3-yl)methanamine
CID 13675353
3-(3-Methylpiperidin-1-yl)propan-1-amine
CID 33069
2-(1-Methylpiperidin-3-yl)ethan-1-amine
CID 12253960
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
2-(3-Methyl-1-piperidinyl)ethanamine
CID 3149268
(1-Propylpiperidin-4-yl)methanamine
CID 3164324

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine?
The IUPAC name of 4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine (CID 113440626) is 4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine.
What is the SMILES notation for 4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine?
The canonical SMILES for 4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine is CC(CCCN)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine?
The InChIKey is XBVXVEKMDAKLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10(4-2-6-16)8-17-7-3-5-11(9-17)12(13,14)15/h10-11H,2-9,16H2,1H3.
What are the key properties of 4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine?
4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine is sourced from PubChem (CID 113440626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).