N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C12H23F3N2 — CID 104594957

IUPACN-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)(F)F)CC1(C)CCCCN1
InChIInChI=1S/C12H23F3N2/c1-10(2)17(9-12(13,14)15)8-11(3)6-4-5-7-16-11/h10,16H,4-9H2,1-3H3
InChIKeyVJVOVWIESSNKEL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.79
Rot. Bonds4

About N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 104594957) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID104594957
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)(F)F)CC1(C)CCCCN1
InChIInChI=1S/C12H23F3N2/c1-10(2)17(9-12(13,14)15)8-11(3)6-4-5-7-16-11/h10,16H,4-9H2,1-3H3
InChIKeyVJVOVWIESSNKEL-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Isobutyl-1-methylpiperazine
CID 64833232
N,N,3-trimethylpiperidin-3-amine
CID 117000006
1-(4,4-Difluorocyclohexyl)piperazine
CID 130949503
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
9,9-Difluoro-1-methyl-1,4-diazaspiro[5.5]undecane dihydrochloride
CID 177801805
(S)-6,6-Dimethylpiperidin-3-amine
CID 139330708
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
3-(Difluoromethyl)piperidin-3-amine
CID 17893696
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 21030134
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]propan-2-amine
CID 23518732
2,2-difluoro-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 53873123
N-(2-fluoroethyl)-N-methyl-1-piperidin-2-ylethanamine
CID 53941172

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 104594957) is N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CC(F)(F)F)CC1(C)CCCCN1.
What is the InChIKey of N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is VJVOVWIESSNKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10(2)17(9-12(13,14)15)8-11(3)6-4-5-7-16-11/h10,16H,4-9H2,1-3H3.
What are the key properties of N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 104594957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).