N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H25F3N2 — CID 43775769

IUPACN-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)CC(C)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2/c1-10(2)8-11(3)17-12-4-6-18(7-5-12)9-13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyAHTJQULLJOZZHX-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds5

About N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43775769) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43775769
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)CC(C)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2/c1-10(2)8-11(3)17-12-4-6-18(7-5-12)9-13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyAHTJQULLJOZZHX-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
3-Methyl-1,4'-bipiperidine
CID 2760044
1,3-Dimethylpiperidin-4-amine
CID 23008883
Methyl((1-methylpiperidin-3-yl)methyl)amine
CID 16640588
N,N-Dimethyl-1-piperidin-3-ylmethanamine
CID 16768076
1-ethyl-N,3-dimethylpiperidin-4-amine
CID 54595021
(4,4-Difluoro-1-methylpiperidin-3-yl)methanamine
CID 83854893
Diethyl-piperidin-3-ylmethyl-amine
CID 6484181
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642
N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine dihydrochloride
CID 54595919
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine hydrochloride
CID 71758336

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43775769) is N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(C)CC(C)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is AHTJQULLJOZZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-10(2)8-11(3)17-12-4-6-18(7-5-12)9-13(14,15)16/h10-12,17H,4-9H2,1-3H3.
What are the key properties of N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43775769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).