2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol

C27H43N3O — CID 45246874

IUPAC2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)CCN1CC1CCCCC1
InChIInChI=1S/C27H43N3O/c31-18-13-27-21-30(17-16-29(27)20-22-5-2-1-3-6-22)25-11-14-28(15-12-25)26-10-9-23-7-4-8-24(23)19-26/h9-10,19,22,25,27,31H,1-8,11-18,20-21H2
InChIKeyIULCOMIOWLJAFM-UHFFFAOYSA-N
MW425.66 g/mol
LogP4.09
Rot. Bonds6

About 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol

2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol (PubChem CID 45246874) has the molecular formula C27H43N3O and a molecular weight of 425.66 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol
PubChem CID45246874
Molecular FormulaC27H43N3O
Molecular Weight425.66 g/mol
Exact Mass425.34
IUPAC Name2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)CCN1CC1CCCCC1
InChIInChI=1S/C27H43N3O/c31-18-13-27-21-30(17-16-29(27)20-22-5-2-1-3-6-22)25-11-14-28(15-12-25)26-10-9-23-7-4-8-24(23)19-26/h9-10,19,22,25,27,31H,1-8,11-18,20-21H2
InChIKeyIULCOMIOWLJAFM-UHFFFAOYSA-N
XLogP4.09
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.66
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-{1-Methyl-4-[1-(4-methylphenyl)-4-piperidinyl]-2-piperazinyl}ethanol
CID 23723426
2-{1-Cyclohexyl-4-[1-(2,3-dimethylphenyl)piperidin-4-yl]piperazin-2-yl}ethanol
CID 16188727
2-{1-Cyclohexyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl}ethanol
CID 16191073
2-{1-Benzyl-4-[1-(2-fluorophenyl)-4-piperidinyl]-2-piperazinyl}ethanol
CID 16191131
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[1-(4-methylphenyl)piperidin-4-yl]pyrrolidin-3-yl}methanol
CID 70788709
2-{4-[1-(2,3-dihydro-1H-inden-5-yl)-4-piperidinyl]-1-isopropyl-2-piperazinyl}ethanol
CID 45232102
2-[1-(2-Fluorobenzyl)-4-(1-phenyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 45174873
2-[4-(1-Phenyl-4-piperidinyl)-1-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 45248014
2-[(2R)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 28783922
2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 28783926
2-[(2R)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol
CID 28957402
2-[(2S)-1-(cyclohexylmethyl)-4-[1-(4-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol
CID 28957404

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol (CID 45246874) is 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol is OCCC1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)CCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol?
The InChIKey is IULCOMIOWLJAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O/c31-18-13-27-21-30(17-16-29(27)20-22-5-2-1-3-6-22)25-11-14-28(15-12-25)26-10-9-23-7-4-8-24(23)19-26/h9-10,19,22,25,27,31H,1-8,11-18,20-21H2.
What are the key properties of 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol?
2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol has a molecular weight of 425.66 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45246874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).