2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol

C23H37N3O — CID 28634783

IUPAC2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1CCO
InChIInChI=1S/C23H37N3O/c1-18(2)26-14-13-25(17-23(26)10-15-27)21-8-11-24(12-9-21)22-7-6-19-4-3-5-20(19)16-22/h6-7,16,18,21,23,27H,3-5,8-15,17H2,1-2H3/t23-/m0/s1
InChIKeyCDMMRHXWIHNPHL-QHCPKHFHSA-N
MW371.57 g/mol
LogP2.92
Rot. Bonds5

About 2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 28634783) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID28634783
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1CCO
InChIInChI=1S/C23H37N3O/c1-18(2)26-14-13-25(17-23(26)10-15-27)21-8-11-24(12-9-21)22-7-6-19-4-3-5-20(19)16-22/h6-7,16,18,21,23,27H,3-5,8-15,17H2,1-2H3/t23-/m0/s1
InChIKeyCDMMRHXWIHNPHL-QHCPKHFHSA-N
XLogP2.92
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 52.92
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-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-[4-[1-(4-Fluoro-2-methylphenyl)-4-piperidinyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16190219
2-{1-Cyclohexyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazin-2-yl}ethanol
CID 16191073
2-{4-[1-(4-Fluoro-2-methylphenyl)piperidin-4-yl]-1-isopropylpiperazin-2-yl}ethanol
CID 16191703
2-{4-[1-(4-Fluoro-2-methylphenyl)piperidin-4-yl]-1-methylpiperazin-2-yl}ethanol
CID 23723217
{(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
ethyl 4-[(3S)-1-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]piperidin-3-yl]piperazine-1-carboxylate
CID 29026207
[(2S)-1-[2-(2-fluoro-6-methyl-4-piperidin-1-ylphenyl)ethyl]piperidin-2-yl]methanol
CID 169927154
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 28634783) is 2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is CDMMRHXWIHNPHL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H37N3O/c1-18(2)26-14-13-25(17-23(26)10-15-27)21-8-11-24(12-9-21)22-7-6-19-4-3-5-20(19)16-22/h6-7,16,18,21,23,27H,3-5,8-15,17H2,1-2H3/t23-/m0/s1.
What are the key properties of 2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 371.57 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 28634783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).