N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H21F3N2O — CID 54931718

IUPACN-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC1CN(CCC1NCC2CCOC2)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-17-4-1-11(2-5-17)16-7-10-3-6-18-8-10/h10-11,16H,1-9H2
InChIKeyPKSIRVRMKRPUGO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.70
Rot. Bonds4

About N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 54931718) has the molecular formula C12H21F3N2O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID54931718
Molecular FormulaC12H21F3N2O
Molecular Weight266.30 g/mol
Exact Mass266.16
IUPAC NameN-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC1CN(CCC1NCC2CCOC2)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-17-4-1-11(2-5-17)16-7-10-3-6-18-8-10/h10-11,16H,1-9H2
InChIKeyPKSIRVRMKRPUGO-UHFFFAOYSA-N
XLogP1.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity252

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-((oxolan-3-yl)methyl)piperidin-4-amine dihydrochloride
CID 54594204
1-((Oxolan-3-yl)methyl)piperidin-4-amine dihydrochloride
CID 165889469
1-(oxolan-3-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 121533316
1-(Oxolan-3-ylmethyl)piperidin-4-amine
CID 18001793
N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54594205
4-[(2R)-4,4-difluoro-2-methoxypyrrolidin-1-yl]piperidine
CID 172732621
2-(Oxolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43362683
N-(3-ethoxypropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43765322
N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43770140
N-[3-(cyclopropylmethoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43770817
N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54905601
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxan-4-amine
CID 54927242

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 54931718) is N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is C1CN(CCC1NCC2CCOC2)CC(F)(F)F.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is PKSIRVRMKRPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)9-17-4-1-11(2-5-17)16-7-10-3-6-18-8-10/h10-11,16H,1-9H2.
What are the key properties of N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 266.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 54931718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).