(2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine

C17H27ClN2O — CID 170569875

IUPAC(2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine
SMILESCOCCN1CCN(c2ccc(C(C)C)c(Cl)c2)C[C@H]1C
InChIInChI=1S/C17H27ClN2O/c1-13(2)16-6-5-15(11-17(16)18)20-8-7-19(9-10-21-4)14(3)12-20/h5-6,11,13-14H,7-10,12H2,1-4H3/t14-/m1/s1
InChIKeyFPVOTJHWMVBADP-CQSZACIVSA-N
MW310.87 g/mol
LogP3.62
Rot. Bonds5

About (2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine

(2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine (PubChem CID 170569875) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is (2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine
PubChem CID170569875
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name(2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine
SMILESCOCCN1CCN(c2ccc(C(C)C)c(Cl)c2)C[C@H]1C
InChIInChI=1S/C17H27ClN2O/c1-13(2)16-6-5-15(11-17(16)18)20-8-7-19(9-10-21-4)14(3)12-20/h5-6,11,13-14H,7-10,12H2,1-4H3/t14-/m1/s1
InChIKeyFPVOTJHWMVBADP-CQSZACIVSA-N
XLogP3.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-propan-2-ylphenyl)-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 170569764
(2S)-1-(2-chloroethyl)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazine
CID 143061845
1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587278
(1S)-1-(2,5-dichlorophenyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 100839211
(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 95602478
(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 95348975
1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958940
2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol
CID 68591948
4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine
CID 11514596
4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine
CID 95329742
6-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrido[2,3-b]pyrazine
CID 133301736
2-[(1S,4S)-5-(3-chloro-4-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 170570253

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine?
The IUPAC name of (2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine (CID 170569875) is (2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine?
The canonical SMILES for (2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine is COCCN1CCN(c2ccc(C(C)C)c(Cl)c2)C[C@H]1C.
What is the InChIKey of (2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine?
The InChIKey is FPVOTJHWMVBADP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-13(2)16-6-5-15(11-17(16)18)20-8-7-19(9-10-21-4)14(3)12-20/h5-6,11,13-14H,7-10,12H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine?
(2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine has a molecular weight of 310.87 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-chloro-4-propan-2-ylphenyl)-1-(2-methoxyethyl)-2-methylpiperazine is sourced from PubChem (CID 170569875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).