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

C24H32N2O2 — CID 23627568

IUPAC(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine
SMILESCOc1ccc(N2CCN(C)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C24H32N2O2/c1-25-14-15-26(18-21(25)16-19-8-4-3-5-9-19)20-12-13-23(27-2)24(17-20)28-22-10-6-7-11-22/h3-5,8-9,12-13,17,21-22H,6-7,10-11,14-16,18H2,1-2H3/t21-/m0/s1
InChIKeyIQFAWPFYLRAQEQ-NRFANRHFSA-N
MW380.53 g/mol
LogP4.38
Rot. Bonds6

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

(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine (PubChem CID 23627568) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine
PubChem CID23627568
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine
SMILESCOc1ccc(N2CCN(C)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C24H32N2O2/c1-25-14-15-26(18-21(25)16-19-8-4-3-5-9-19)20-12-13-23(27-2)24(17-20)28-22-10-6-7-11-22/h3-5,8-9,12-13,17,21-22H,6-7,10-11,14-16,18H2,1-2H3/t21-/m0/s1
InChIKeyIQFAWPFYLRAQEQ-NRFANRHFSA-N
XLogP4.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 66824930
2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 67272024
[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone
CID 67292598
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 58189028
3-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-3-oxopropanehydrazide
CID 66825417
2-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-N'-methylacetohydrazide
CID 66826593
(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine
CID 23627508
methyl 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylate
CID 66826508
ethyl 4-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-4-oxobutanoate
CID 123451512

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine?
The IUPAC name of (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine (CID 23627568) is (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine.
What is the SMILES notation for (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine?
The canonical SMILES for (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine is COc1ccc(N2CCN(C)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1.
What is the InChIKey of (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine?
The InChIKey is IQFAWPFYLRAQEQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-25-14-15-26(18-21(25)16-19-8-4-3-5-9-19)20-12-13-23(27-2)24(17-20)28-22-10-6-7-11-22/h3-5,8-9,12-13,17,21-22H,6-7,10-11,14-16,18H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine?
(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine has a molecular weight of 380.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine is sourced from PubChem (CID 23627568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).