2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine

C19H25N3O — CID 174368771

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
SMILESCOc1cccc(N2CCN(CC(N)c3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3O/c1-23-18-9-5-8-17(14-18)22-12-10-21(11-13-22)15-19(20)16-6-3-2-4-7-16/h2-9,14,19H,10-13,15,20H2,1H3
InChIKeyMTSJGKYUTQKMKS-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.52
Rot. Bonds5

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine

2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine (PubChem CID 174368771) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
PubChem CID174368771
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
SMILESCOc1cccc(N2CCN(CC(N)c3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3O/c1-23-18-9-5-8-17(14-18)22-12-10-21(11-13-22)15-19(20)16-6-3-2-4-7-16/h2-9,14,19H,10-13,15,20H2,1H3
InChIKeyMTSJGKYUTQKMKS-UHFFFAOYSA-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

(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
CID 43199829
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
CID 66453614
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9348034
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine
CID 92967649
1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine
CID 63915152
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
[4-(3-methoxyphenyl)piperazin-1-yl]methanesulfinate
CID 174627257
1-(1,3-benzothiazol-2-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 174442423
1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55249009

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine (CID 174368771) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine is COc1cccc(N2CCN(CC(N)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine?
The InChIKey is MTSJGKYUTQKMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-23-18-9-5-8-17(14-18)22-12-10-21(11-13-22)15-19(20)16-6-3-2-4-7-16/h2-9,14,19H,10-13,15,20H2,1H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine 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 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine is sourced from PubChem (CID 174368771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).