N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine

C18H28F3N3 — CID 97323333

IUPACN,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine
SMILESC[C@@H](NCCN1CCC(N(C)C)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H28F3N3/c1-14(15-5-4-6-16(13-15)18(19,20)21)22-9-12-24-10-7-17(8-11-24)23(2)3/h4-6,13-14,17,22H,7-12H2,1-3H3/t14-/m1/s1
InChIKeyWBXKZBPKMNIZPY-CQSZACIVSA-N
MW343.44 g/mol
LogP3.38
Rot. Bonds6

About N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine

N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine (PubChem CID 97323333) has the molecular formula C18H28F3N3 and a molecular weight of 343.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine
PubChem CID97323333
Molecular FormulaC18H28F3N3
Molecular Weight343.44 g/mol
Exact Mass343.22
IUPAC NameN,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine
SMILESC[C@@H](NCCN1CCC(N(C)C)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H28F3N3/c1-14(15-5-4-6-16(13-15)18(19,20)21)22-9-12-24-10-7-17(8-11-24)23(2)3/h4-6,13-14,17,22H,7-12H2,1-3H3/t14-/m1/s1
InChIKeyWBXKZBPKMNIZPY-CQSZACIVSA-N
XLogP3.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
1-[2-[1-(furan-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 62561360
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
N-(thiolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 80584198
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016
(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 757431
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 79570845
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
1-prop-2-ynyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 51091244
1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 103904346
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 104860556

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine (CID 97323333) is N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine is C[C@@H](NCCN1CCC(N(C)C)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine?
The InChIKey is WBXKZBPKMNIZPY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28F3N3/c1-14(15-5-4-6-16(13-15)18(19,20)21)22-9-12-24-10-7-17(8-11-24)23(2)3/h4-6,13-14,17,22H,7-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine?
N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine has a molecular weight of 343.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]piperidin-4-amine is sourced from PubChem (CID 97323333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).