N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine

C12H23F3N2O — CID 106637776

IUPACN-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
SMILESCC(C)N(CCOC(F)(F)F)CC1CCCNC1
InChIInChI=1S/C12H23F3N2O/c1-10(2)17(6-7-18-12(13,14)15)9-11-4-3-5-16-8-11/h10-11,16H,3-9H2,1-2H3
InChIKeyTWUMRCGNCKVYEZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.23
Rot. Bonds6

About N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine

N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine (PubChem CID 106637776) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
PubChem CID106637776
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
SMILESCC(C)N(CCOC(F)(F)F)CC1CCCNC1
InChIInChI=1S/C12H23F3N2O/c1-10(2)17(6-7-18-12(13,14)15)9-11-4-3-5-16-8-11/h10-11,16H,3-9H2,1-2H3
InChIKeyTWUMRCGNCKVYEZ-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine
CID 106638166
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637808
2-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103815885
2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106637814
N-(pyrrolidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62370891
N-cyclopropyl-3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanamide
CID 106637897
1-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106623955
N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630
3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106637470

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine (CID 106637776) is N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine is CC(C)N(CCOC(F)(F)F)CC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine?
The InChIKey is TWUMRCGNCKVYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(2)17(6-7-18-12(13,14)15)9-11-4-3-5-16-8-11/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine?
N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 106637776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).