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

C29H41N3O — CID 45246581

IUPAC2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)CCN1CCCc1ccccc1
InChIInChI=1S/C29H41N3O/c33-21-15-29-23-32(20-19-30(29)16-5-8-24-6-2-1-3-7-24)27-13-17-31(18-14-27)28-12-11-25-9-4-10-26(25)22-28/h1-3,6-7,11-12,22,27,29,33H,4-5,8-10,13-21,23H2
InChIKeyHDMMECUAHZQXGT-UHFFFAOYSA-N
MW447.67 g/mol
LogP4.15
Rot. Bonds8

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

2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 45246581) has the molecular formula C29H41N3O and a molecular weight of 447.67 g/mol. Its IUPAC name is 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID45246581
Molecular FormulaC29H41N3O
Molecular Weight447.67 g/mol
Exact Mass447.32
IUPAC Name2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)CCN1CCCc1ccccc1
InChIInChI=1S/C29H41N3O/c33-21-15-29-23-32(20-19-30(29)16-5-8-24-6-2-1-3-7-24)27-13-17-31(18-14-27)28-12-11-25-9-4-10-26(25)22-28/h1-3,6-7,11-12,22,27,29,33H,4-5,8-10,13-21,23H2
InChIKeyHDMMECUAHZQXGT-UHFFFAOYSA-N
XLogP4.15
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.67
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3,4-Difluorobenzyl)-4-(1-phenyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 16192111
2-{1-Methyl-4-[1-(4-methylphenyl)-4-piperidinyl]-2-piperazinyl}ethanol
CID 23723426
1-Benzyl-4-(4-phenylpiperazin-1-yl)piperidin-3-ol
CID 44410884
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
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-[4-[1-(2-Fluorophenyl)-4-piperidinyl]-1-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 45235890

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 45246581) is 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is OCCC1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)CCN1CCCc1ccccc1.
What is the InChIKey of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is HDMMECUAHZQXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O/c33-21-15-29-23-32(20-19-30(29)16-5-8-24-6-2-1-3-7-24)27-13-17-31(18-14-27)28-12-11-25-9-4-10-26(25)22-28/h1-3,6-7,11-12,22,27,29,33H,4-5,8-10,13-21,23H2.
What are the key properties of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 447.67 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45246581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).