(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine

C19H25N3O — CID 9161175

IUPAC(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCOc1ccc([C@@H](CN)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H25N3O/c1-23-18-9-7-16(8-10-18)19(15-20)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h2-10,19H,11-15,20H2,1H3/t19-/m1/s1
InChIKeyGLEAGUKBXYBCCB-LJQANCHMSA-N
MW311.43 g/mol
LogP2.52
Rot. Bonds5

About (2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine

(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine (PubChem CID 9161175) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
PubChem CID9161175
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCOc1ccc([C@@H](CN)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H25N3O/c1-23-18-9-7-16(8-10-18)19(15-20)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h2-10,19H,11-15,20H2,1H3/t19-/m1/s1
InChIKeyGLEAGUKBXYBCCB-LJQANCHMSA-N
XLogP2.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
CID 43581263
1-[(S)-(4-methoxyphenyl)-phenylsulfanylmethyl]-4-phenylpiperazine
CID 51672151
2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65283416
N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 92669835
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 30509392
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18564941
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
CID 9161222
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-4-methoxybenzenesulfonamide
CID 20962708
2-(6-methoxynaphthalen-2-yl)-2-morpholin-4-ylethanamine
CID 16792697

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine (CID 9161175) is (2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine is COc1ccc([C@@H](CN)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The InChIKey is GLEAGUKBXYBCCB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O/c1-23-18-9-7-16(8-10-18)19(15-20)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h2-10,19H,11-15,20H2,1H3/t19-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine?
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine has a molecular weight of 311.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 9161175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).