(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine

C21H29N3O2 — CID 70121693

IUPAC(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine
SMILESCOc1ccc(C[C@@H](N)CN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H29N3O2/c1-25-19-9-7-17(8-10-19)15-18(22)16-23-11-13-24(14-12-23)20-5-3-4-6-21(20)26-2/h3-10,18H,11-16,22H2,1-2H3/t18-/m1/s1
InChIKeyBEVLUMXJEQDPHZ-GOSISDBHSA-N
MW355.48 g/mol
LogP2.40
Rot. Bonds7

About (2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine

(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine (PubChem CID 70121693) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine
PubChem CID70121693
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine
SMILESCOc1ccc(C[C@@H](N)CN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H29N3O2/c1-25-19-9-7-17(8-10-19)15-18(22)16-23-11-13-24(14-12-23)20-5-3-4-6-21(20)26-2/h3-10,18H,11-16,22H2,1-2H3/t18-/m1/s1
InChIKeyBEVLUMXJEQDPHZ-GOSISDBHSA-N
XLogP2.40
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-2-amine
CID 22689717
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-amine;N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-2-yl]cyclohexanecarboxamide
CID 157455289
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine
CID 56986560
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 20535825
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine
CID 62418788
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
CID 40514838
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine?
The IUPAC name of (2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine (CID 70121693) is (2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine is COc1ccc(C[C@@H](N)CN2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine?
The InChIKey is BEVLUMXJEQDPHZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-25-19-9-7-17(8-10-19)15-18(22)16-23-11-13-24(14-12-23)20-5-3-4-6-21(20)26-2/h3-10,18H,11-16,22H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine?
(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine has a molecular weight of 355.48 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine is sourced from PubChem (CID 70121693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).