1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine

C30H49N3O2 — CID 23143101

IUPAC1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine
SMILESCOCCN1CCN(c2ccc(N3CCC(OC)CC3)cc2C2CCC3(CCCCC3)CC2)CC1
InChIInChI=1S/C30H49N3O2/c1-34-23-22-31-18-20-33(21-19-31)29-7-6-26(32-16-10-27(35-2)11-17-32)24-28(29)25-8-14-30(15-9-25)12-4-3-5-13-30/h6-7,24-25,27H,3-5,8-23H2,1-2H3
InChIKeyCGLJEDQAQJMTLV-UHFFFAOYSA-N
MW483.74 g/mol
LogP5.68
Rot. Bonds7

About 1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine

1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine (PubChem CID 23143101) has the molecular formula C30H49N3O2 and a molecular weight of 483.74 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine
PubChem CID23143101
Molecular FormulaC30H49N3O2
Molecular Weight483.74 g/mol
Exact Mass483.38
IUPAC Name1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine
SMILESCOCCN1CCN(c2ccc(N3CCC(OC)CC3)cc2C2CCC3(CCCCC3)CC2)CC1
InChIInChI=1S/C30H49N3O2/c1-34-23-22-31-18-20-33(21-19-31)29-7-6-26(32-16-10-27(35-2)11-17-32)24-28(29)25-8-14-30(15-9-25)12-4-3-5-13-30/h6-7,24-25,27H,3-5,8-23H2,1-2H3
InChIKeyCGLJEDQAQJMTLV-UHFFFAOYSA-N
XLogP5.68
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine
CID 23142219
1-butyl-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[2.5]octan-6-ylphenyl]piperazine
CID 23142123
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-(4-methoxypiperidin-1-yl)phenyl]piperazine;hydrochloride
CID 23141550
4-[3-(4,4-dimethylcyclohexyl)-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2,6-dimethylmorpholine;hydrochloride
CID 23141950
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-pyrrolidin-1-ylphenyl]piperazine
CID 23142252
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-(4-propan-2-yloxypiperidin-1-yl)phenyl]piperazine;hydrochloride
CID 23141710
1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-[4-(2-methoxyethoxy)piperidin-1-yl]phenyl]piperazine;hydrochloride
CID 68977142
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23142251
1-[4-(4-methoxypiperidin-1-yl)-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-(2-methylpropyl)piperazine;hydrochloride
CID 23142367
2,6-dimethyl-4-[4-(4-propylpiperazin-1-yl)-3-spiro[2.5]octan-6-ylphenyl]morpholine;hydrochloride
CID 23142152

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine (CID 23143101) is 1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine is COCCN1CCN(c2ccc(N3CCC(OC)CC3)cc2C2CCC3(CCCCC3)CC2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine?
The InChIKey is CGLJEDQAQJMTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N3O2/c1-34-23-22-31-18-20-33(21-19-31)29-7-6-26(32-16-10-27(35-2)11-17-32)24-28(29)25-8-14-30(15-9-25)12-4-3-5-13-30/h6-7,24-25,27H,3-5,8-23H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine?
1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine has a molecular weight of 483.74 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[5.5]undecan-3-ylphenyl]piperazine is sourced from PubChem (CID 23143101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).