1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride

C16H20ClFN2O2 — CID 171175471

IUPAC1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
SMILESCOc1c(F)cccc1[C@@H](c1ccco1)N1CCNCC1.Cl
InChIInChI=1S/C16H19FN2O2.ClH/c1-20-16-12(4-2-5-13(16)17)15(14-6-3-11-21-14)19-9-7-18-8-10-19;/h2-6,11,15,18H,7-10H2,1H3;1H/t15-;/m0./s1
InChIKeyKDQMSFALWONKKP-RSAXXLAASA-N
MW326.80 g/mol
LogP2.84
Rot. Bonds4

About 1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride

1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride (PubChem CID 171175471) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is 1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
PubChem CID171175471
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
SMILESCOc1c(F)cccc1[C@@H](c1ccco1)N1CCNCC1.Cl
InChIInChI=1S/C16H19FN2O2.ClH/c1-20-16-12(4-2-5-13(16)17)15(14-6-3-11-21-14)19-9-7-18-8-10-19;/h2-6,11,15,18H,7-10H2,1H3;1H/t15-;/m0./s1
InChIKeyKDQMSFALWONKKP-RSAXXLAASA-N
XLogP2.84
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171181410
1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171178044
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 171287830
(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174278
1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171179727
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(S)-furan-2-yl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176785

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride (CID 171175471) is 1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride is COc1c(F)cccc1[C@@H](c1ccco1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The InChIKey is KDQMSFALWONKKP-RSAXXLAASA-N. The full InChI is InChI=1S/C16H19FN2O2.ClH/c1-20-16-12(4-2-5-13(16)17)15(14-6-3-11-21-14)19-9-7-18-8-10-19;/h2-6,11,15,18H,7-10H2,1H3;1H/t15-;/m0./s1.
What are the key properties of 1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171175471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).