1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine

C26H41N3O — CID 23142219

IUPAC1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine
SMILESCOCCN1CCN(c2ccc(N3CCCCC3)cc2C2CCC3(CC2)CC3)CC1
InChIInChI=1S/C26H41N3O/c1-30-20-19-27-15-17-29(18-16-27)25-6-5-23(28-13-3-2-4-14-28)21-24(25)22-7-9-26(10-8-22)11-12-26/h5-6,21-22H,2-4,7-20H2,1H3
InChIKeyFDWIPDSVWUCXSB-UHFFFAOYSA-N
MW411.63 g/mol
LogP4.88
Rot. Bonds6

About 1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine

1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine (PubChem CID 23142219) has the molecular formula C26H41N3O and a molecular weight of 411.63 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine
PubChem CID23142219
Molecular FormulaC26H41N3O
Molecular Weight411.63 g/mol
Exact Mass411.32
IUPAC Name1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine
SMILESCOCCN1CCN(c2ccc(N3CCCCC3)cc2C2CCC3(CC2)CC3)CC1
InChIInChI=1S/C26H41N3O/c1-30-20-19-27-15-17-29(18-16-27)25-6-5-23(28-13-3-2-4-14-28)21-24(25)22-7-9-26(10-8-22)11-12-26/h5-6,21-22H,2-4,7-20H2,1H3
InChIKeyFDWIPDSVWUCXSB-UHFFFAOYSA-N
XLogP4.88
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.63
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine
CID 23143101
1-butyl-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[2.5]octan-6-ylphenyl]piperazine
CID 23142123
4-[3-(4,4-dimethylcyclohexyl)-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2,6-dimethylmorpholine;hydrochloride
CID 23141950
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine
CID 23142252
1-[4-(4-methoxypiperidin-1-yl)-2-spiro[2.5]octan-6-ylphenyl]-4-pentylpiperazine;hydrochloride
CID 23142086
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23142251
1-(cyclopropylmethyl)-4-[2-(4,4-dimethylcyclohexyl)-4-piperidin-1-ylphenyl]piperazine;hydrochloride
CID 23142955
2,6-dimethyl-4-[4-(4-propylpiperazin-1-yl)-3-spiro[2.5]octan-6-ylphenyl]morpholine;hydrochloride
CID 23142152
1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine
CID 23141926
4-[4-(4-butylpiperazin-1-yl)-3-spiro[2.5]octan-6-ylphenyl]-2,6-dimethylmorpholine
CID 69220213
4-[4-[4-(2-methylpropyl)piperazin-1-yl]-3-spiro[5.5]undecan-3-ylphenyl]morpholine
CID 23141975
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-(4-methoxypiperidin-1-yl)phenyl]piperazine;hydrochloride
CID 23141550

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine (CID 23142219) is 1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine is COCCN1CCN(c2ccc(N3CCCCC3)cc2C2CCC3(CC2)CC3)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine?
The InChIKey is FDWIPDSVWUCXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O/c1-30-20-19-27-15-17-29(18-16-27)25-6-5-23(28-13-3-2-4-14-28)21-24(25)22-7-9-26(10-8-22)11-12-26/h5-6,21-22H,2-4,7-20H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine?
1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine has a molecular weight of 411.63 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine is sourced from PubChem (CID 23142219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).