1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride

C18H22ClF3N2O — CID 171172510

IUPAC1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@@H](CC(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C18H21F3N2O.ClH/c1-24-16-7-6-13-4-2-3-5-14(13)17(16)15(12-18(19,20)21)23-10-8-22-9-11-23;/h2-7,15,22H,8-12H2,1H3;1H/t15-;/m1./s1
InChIKeyMRSSXWLXPXNAMN-XFULWGLBSA-N
MW374.83 g/mol
LogP4.17
Rot. Bonds4

About 1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride

1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride (PubChem CID 171172510) has the molecular formula C18H22ClF3N2O and a molecular weight of 374.83 g/mol. Its IUPAC name is 1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
PubChem CID171172510
Molecular FormulaC18H22ClF3N2O
Molecular Weight374.83 g/mol
Exact Mass374.14
IUPAC Name1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@@H](CC(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C18H21F3N2O.ClH/c1-24-16-7-6-13-4-2-3-5-14(13)17(16)15(12-18(19,20)21)23-10-8-22-9-11-23;/h2-7,15,22H,8-12H2,1H3;1H/t15-;/m1./s1
InChIKeyMRSSXWLXPXNAMN-XFULWGLBSA-N
XLogP4.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171168839
1-[(1S)-1-anthracen-9-yl-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302274
1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
CID 171282098
1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171294742
1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171282087
1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
CID 82263008
1-[(1S)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302479
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171303090
(3R)-3-(2-methoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190221
3,5-dimethoxy-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol
CID 171164214
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
1-[(1R)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 171172681

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride (CID 171172510) is 1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride is COc1ccc2ccccc2c1[C@@H](CC(F)(F)F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride?
The InChIKey is MRSSXWLXPXNAMN-XFULWGLBSA-N. The full InChI is InChI=1S/C18H21F3N2O.ClH/c1-24-16-7-6-13-4-2-3-5-14(13)17(16)15(12-18(19,20)21)23-10-8-22-9-11-23;/h2-7,15,22H,8-12H2,1H3;1H/t15-;/m1./s1.
What are the key properties of 1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride?
1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride has a molecular weight of 374.83 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171172510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).