(2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine

C24H32N2O2 — CID 23627266

IUPAC(2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine
SMILESCOc1ccc(N2C[C@H](Cc3ccccc3)NC[C@@H]2C)cc1OC1CCCC1
InChIInChI=1S/C24H32N2O2/c1-18-16-25-20(14-19-8-4-3-5-9-19)17-26(18)21-12-13-23(27-2)24(15-21)28-22-10-6-7-11-22/h3-5,8-9,12-13,15,18,20,22,25H,6-7,10-11,14,16-17H2,1-2H3/t18-,20-/m0/s1
InChIKeyKOCPEPVBVOHQOZ-ICSRJNTNSA-N
MW380.53 g/mol
LogP4.43
Rot. Bonds6

About (2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine

(2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine (PubChem CID 23627266) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine
PubChem CID23627266
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine
SMILESCOc1ccc(N2C[C@H](Cc3ccccc3)NC[C@@H]2C)cc1OC1CCCC1
InChIInChI=1S/C24H32N2O2/c1-18-16-25-20(14-19-8-4-3-5-9-19)17-26(18)21-12-13-23(27-2)24(15-21)28-22-10-6-7-11-22/h3-5,8-9,12-13,15,18,20,22,25H,6-7,10-11,14,16-17H2,1-2H3/t18-,20-/m0/s1
InChIKeyKOCPEPVBVOHQOZ-ICSRJNTNSA-N
XLogP4.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine
CID 74071633
5-benzyl-1-(3-iodophenyl)-2-methylpiperazine
CID 64938106
(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine
CID 23627508
(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine
CID 23627568
2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 67272024
1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64934821
3-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 66824816
1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one
CID 66824781
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
CID 58189146
2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol
CID 70094262
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
CID 65043153

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine?
The IUPAC name of (2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine (CID 23627266) is (2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine.
What is the SMILES notation for (2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine?
The canonical SMILES for (2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine is COc1ccc(N2C[C@H](Cc3ccccc3)NC[C@@H]2C)cc1OC1CCCC1.
What is the InChIKey of (2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine?
The InChIKey is KOCPEPVBVOHQOZ-ICSRJNTNSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18-16-25-20(14-19-8-4-3-5-9-19)17-26(18)21-12-13-23(27-2)24(15-21)28-22-10-6-7-11-22/h3-5,8-9,12-13,15,18,20,22,25H,6-7,10-11,14,16-17H2,1-2H3/t18-,20-/m0/s1.
What are the key properties of (2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine?
(2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine has a molecular weight of 380.53 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-benzyl-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpiperazine is sourced from PubChem (CID 23627266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).