1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine

C19H24N2O — CID 25263311

IUPAC1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine
SMILESCc1c(O[C@@H](C)c2ccccc2)cccc1N1CCNCC1
InChIInChI=1S/C19H24N2O/c1-15-18(21-13-11-20-12-14-21)9-6-10-19(15)22-16(2)17-7-4-3-5-8-17/h3-10,16,20H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyQUJJFIRUSWFDCL-INIZCTEOSA-N
MW296.41 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine

1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine (PubChem CID 25263311) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine
PubChem CID25263311
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine
SMILESCc1c(O[C@@H](C)c2ccccc2)cccc1N1CCNCC1
InChIInChI=1S/C19H24N2O/c1-15-18(21-13-11-20-12-14-21)9-6-10-19(15)22-16(2)17-7-4-3-5-8-17/h3-10,16,20H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyQUJJFIRUSWFDCL-INIZCTEOSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263305
Ucm1014
CID 121231413
AAE-M-PBP-amine
CID 24763223
1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
US9205085, Msx-205
CID 23656764
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
Icmt-IN-1
CID 53388524
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
CID 892164

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine?
The IUPAC name of 1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine (CID 25263311) is 1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine.
What is the SMILES notation for 1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine?
The canonical SMILES for 1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine is Cc1c(O[C@@H](C)c2ccccc2)cccc1N1CCNCC1.
What is the InChIKey of 1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine?
The InChIKey is QUJJFIRUSWFDCL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-18(21-13-11-20-12-14-21)9-6-10-19(15)22-16(2)17-7-4-3-5-8-17/h3-10,16,20H,11-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine?
1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine has a molecular weight of 296.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-[(1S)-1-phenylethoxy]phenyl]piperazine is sourced from PubChem (CID 25263311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).