(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride

C14H22ClFN2 — CID 120845639

IUPAC(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
SMILESCCc1cccc(F)c1CN1CCN[C@H](C)C1.Cl
InChIInChI=1S/C14H21FN2.ClH/c1-3-12-5-4-6-14(15)13(12)10-17-8-7-16-11(2)9-17;/h4-6,11,16H,3,7-10H2,1-2H3;1H/t11-;/m1./s1
InChIKeyKRHCPMRELXOSBD-RFVHGSKJSA-N
MW272.79 g/mol
LogP2.60
Rot. Bonds3

About (3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride

(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride (PubChem CID 120845639) has the molecular formula C14H22ClFN2 and a molecular weight of 272.79 g/mol. Its IUPAC name is (3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
PubChem CID120845639
Molecular FormulaC14H22ClFN2
Molecular Weight272.79 g/mol
Exact Mass272.15
IUPAC Name(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
SMILESCCc1cccc(F)c1CN1CCN[C@H](C)C1.Cl
InChIInChI=1S/C14H21FN2.ClH/c1-3-12-5-4-6-14(15)13(12)10-17-8-7-16-11(2)9-17;/h4-6,11,16H,3,7-10H2,1-2H3;1H/t11-;/m1./s1
InChIKeyKRHCPMRELXOSBD-RFVHGSKJSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine
CID 120845888
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836422
(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 167713386
1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838596
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 103885963
(3R)-1-[(2,3-dichloro-4-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845594
1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
CID 120834571
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
CID 96906172
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 96916148
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride?
The IUPAC name of (3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride (CID 120845639) is (3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride.
What is the SMILES notation for (3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride?
The canonical SMILES for (3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride is CCc1cccc(F)c1CN1CCN[C@H](C)C1.Cl.
What is the InChIKey of (3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride?
The InChIKey is KRHCPMRELXOSBD-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H21FN2.ClH/c1-3-12-5-4-6-14(15)13(12)10-17-8-7-16-11(2)9-17;/h4-6,11,16H,3,7-10H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride?
(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride has a molecular weight of 272.79 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 120845639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).