benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine

C20H25F3N2O2 — CID 142835645

IUPACbenzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
SMILESCOc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCNC1.c1ccccc1
InChIInChI=1S/C14H19F3N2O2.C6H6/c1-20-13-5-4-12(21-14(15,16)17)7-10(13)8-19-11-3-2-6-18-9-11;1-2-4-6-5-3-1/h4-5,7,11,18-19H,2-3,6,8-9H2,1H3;1-6H/t11-;/m0./s1
InChIKeyCHQZTSOBDDBIBI-MERQFXBCSA-N
MW382.43 g/mol
LogP4.12
Rot. Bonds5

About benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine

benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine (PubChem CID 142835645) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Namebenzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
PubChem CID142835645
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Namebenzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
SMILESCOc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCNC1.c1ccccc1
InChIInChI=1S/C14H19F3N2O2.C6H6/c1-20-13-5-4-12(21-14(15,16)17)7-10(13)8-19-11-3-2-6-18-9-11;1-2-4-6-5-3-1/h4-5,7,11,18-19H,2-3,6,8-9H2,1H3;1-6H/t11-;/m0./s1
InChIKeyCHQZTSOBDDBIBI-MERQFXBCSA-N
XLogP4.12
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 15228060
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67677445
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine
CID 139699820
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine
CID 18982919
(5R,6S)-5-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-6-phenylpiperidine-2,4-dione
CID 154572821
(2S,3S)-2-cyclohexa-2,4-dien-1-yl-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 70956294
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-8-methyl-3-phenyl-2-azabicyclo[3.3.1]nonan-4-amine
CID 18982909
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227
(3S,4R)-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-3-phenylpiperidine-1-carboxamide;hydrochloride
CID 69056577
2-[5-benzhydryl-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-3-yl]ethanol
CID 19974855

Frequently Asked Questions

What is the IUPAC name of benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The IUPAC name of benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine (CID 142835645) is benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine is COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCNC1.c1ccccc1.
What is the InChIKey of benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The InChIKey is CHQZTSOBDDBIBI-MERQFXBCSA-N. The full InChI is InChI=1S/C14H19F3N2O2.C6H6/c1-20-13-5-4-12(21-14(15,16)17)7-10(13)8-19-11-3-2-6-18-9-11;1-2-4-6-5-3-1/h4-5,7,11,18-19H,2-3,6,8-9H2,1H3;1-6H/t11-;/m0./s1.
What are the key properties of benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine has a molecular weight of 382.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 142835645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).