(1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C21H33N3O2 — CID 31134750

IUPAC(1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCCOCCN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1
InChIInChI=1S/C21H33N3O2/c1-2-26-16-15-23-11-13-24(14-12-23)19-17-5-3-4-6-18(17)21(20(19)25)7-9-22-10-8-21/h3-6,19-20,22,25H,2,7-16H2,1H3/t19-,20+/m1/s1
InChIKeyPZWUJAYWWIZXNK-UXHICEINSA-N
MW359.51 g/mol
LogP1.38
Rot. Bonds5

About (1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 31134750) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID31134750
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCCOCCN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1
InChIInChI=1S/C21H33N3O2/c1-2-26-16-15-23-11-13-24(14-12-23)19-17-5-3-4-6-18(17)21(20(19)25)7-9-22-10-8-21/h3-6,19-20,22,25H,2,7-16H2,1H3/t19-,20+/m1/s1
InChIKeyPZWUJAYWWIZXNK-UXHICEINSA-N
XLogP1.38
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 31134750) is (1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CCOCCN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1.
What is the InChIKey of (1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is PZWUJAYWWIZXNK-UXHICEINSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-2-26-16-15-23-11-13-24(14-12-23)19-17-5-3-4-6-18(17)21(20(19)25)7-9-22-10-8-21/h3-6,19-20,22,25H,2,7-16H2,1H3/t19-,20+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 359.51 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(2-ethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 31134750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).