1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine

C21H26N2O — CID 10829708

IUPAC1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
SMILESCOc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-24-21-10-6-5-9-20(21)23-13-11-22(12-14-23)16-18-15-19(18)17-7-3-2-4-8-17/h2-10,18-19H,11-16H2,1H3/t18-,19-/m1/s1
InChIKeyQCIVPNSLPPESDA-RTBURBONSA-N
MW322.45 g/mol
LogP3.62
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine

1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine (PubChem CID 10829708) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
PubChem CID10829708
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
SMILESCOc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-24-21-10-6-5-9-20(21)23-13-11-22(12-14-23)16-18-15-19(18)17-7-3-2-4-8-17/h2-10,18-19H,11-16H2,1H3/t18-,19-/m1/s1
InChIKeyQCIVPNSLPPESDA-RTBURBONSA-N
XLogP3.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
CID 18613652
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 62611272
1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10761040
1-(2-methoxyphenyl)-4-[[(2R,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine
CID 155521817
1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10615990
2-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclohexyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 67446337
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 40533110
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 7111600
1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine
CID 20736310

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine (CID 10829708) is 1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine is COc1ccccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The InChIKey is QCIVPNSLPPESDA-RTBURBONSA-N. The full InChI is InChI=1S/C21H26N2O/c1-24-21-10-6-5-9-20(21)23-13-11-22(12-14-23)16-18-15-19(18)17-7-3-2-4-8-17/h2-10,18-19H,11-16H2,1H3/t18-,19-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine has a molecular weight of 322.45 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 1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine is sourced from PubChem (CID 10829708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).