(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride

C14H20ClF3N2O — CID 171314755

IUPAC(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride
SMILESCOc1cc(C(F)(F)F)ccc1[C@H](N)C1CCNCC1.Cl
InChIInChI=1S/C14H19F3N2O.ClH/c1-20-12-8-10(14(15,16)17)2-3-11(12)13(18)9-4-6-19-7-5-9;/h2-3,8-9,13,19H,4-7,18H2,1H3;1H/t13-;/m1./s1
InChIKeyDSDQHDVCVCIBMP-BTQNPOSSSA-N
MW324.77 g/mol
LogP3.14
Rot. Bonds3

About (R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride

(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314755) has the molecular formula C14H20ClF3N2O and a molecular weight of 324.77 g/mol. Its IUPAC name is (R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314755
Molecular FormulaC14H20ClF3N2O
Molecular Weight324.77 g/mol
Exact Mass324.12
IUPAC Name(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride
SMILESCOc1cc(C(F)(F)F)ccc1[C@H](N)C1CCNCC1.Cl
InChIInChI=1S/C14H19F3N2O.ClH/c1-20-12-8-10(14(15,16)17)2-3-11(12)13(18)9-4-6-19-7-5-9;/h2-3,8-9,13,19H,4-7,18H2,1H3;1H/t13-;/m1./s1
InChIKeyDSDQHDVCVCIBMP-BTQNPOSSSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[2-methoxy-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171245200
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171296994
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
1-[(S)-cyclobutyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171181597
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
1-[(S)-cyclohexyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171167987
1-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171296986
1-[(S)-cyclobutyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171181596
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
(1R,2S)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol
CID 171271961

Frequently Asked Questions

What is the IUPAC name of (R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride (CID 171314755) is (R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride is COc1cc(C(F)(F)F)ccc1[C@H](N)C1CCNCC1.Cl.
What is the InChIKey of (R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is DSDQHDVCVCIBMP-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H19F3N2O.ClH/c1-20-12-8-10(14(15,16)17)2-3-11(12)13(18)9-4-6-19-7-5-9;/h2-3,8-9,13,19H,4-7,18H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride?
(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 324.77 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).