2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol

C22H33N3O — CID 29088934

IUPAC2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc2[nH]c(CN3CCN(C4CCCC4)[C@@H](CCO)C3)c(C)c2c1
InChIInChI=1S/C22H33N3O/c1-16-7-8-21-20(13-16)17(2)22(23-21)15-24-10-11-25(18-5-3-4-6-18)19(14-24)9-12-26/h7-8,13,18-19,23,26H,3-6,9-12,14-15H2,1-2H3/t19-/m0/s1
InChIKeyAUUGSVIAKVYGSJ-IBGZPJMESA-N
MW355.53 g/mol
LogP3.60
Rot. Bonds5

About 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol

2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 29088934) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID29088934
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc2[nH]c(CN3CCN(C4CCCC4)[C@@H](CCO)C3)c(C)c2c1
InChIInChI=1S/C22H33N3O/c1-16-7-8-21-20(13-16)17(2)22(23-21)15-24-10-11-25(18-5-3-4-6-18)19(14-24)9-12-26/h7-8,13,18-19,23,26H,3-6,9-12,14-15H2,1-2H3/t19-/m0/s1
InChIKeyAUUGSVIAKVYGSJ-IBGZPJMESA-N
XLogP3.60
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901
[(3aS,7aR)-2-[(3,5-dimethyl-1H-indol-2-yl)methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811775
2-[(2R)-4-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51902775
2-[(2S)-1-cyclohexyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 29212786
2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45187220
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51908762
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45215915
2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
CID 29215594
2-[1-cyclopentyl-4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 45180147
2-[(2S)-1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 30727850

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol (CID 29088934) is 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol is Cc1ccc2[nH]c(CN3CCN(C4CCCC4)[C@@H](CCO)C3)c(C)c2c1.
What is the InChIKey of 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is AUUGSVIAKVYGSJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33N3O/c1-16-7-8-21-20(13-16)17(2)22(23-21)15-24-10-11-25(18-5-3-4-6-18)19(14-24)9-12-26/h7-8,13,18-19,23,26H,3-6,9-12,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 355.53 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29088934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).