1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]

C30H40N2O2 — CID 18700230

IUPAC1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1ccc2c(c1)CCC1(CCN(CCCCN3CCC4(CCc5ccccc5O4)CC3)CC1)O2
InChIInChI=1S/C30H40N2O2/c1-3-9-27-25(7-1)11-13-29(33-27)15-21-31(22-16-29)19-5-6-20-32-23-17-30(18-24-32)14-12-26-8-2-4-10-28(26)34-30/h1-4,7-10H,5-6,11-24H2
InChIKeyWUWDAYJTBPAPJX-UHFFFAOYSA-N
MW460.66 g/mol
LogP5.49
Rot. Bonds5

About 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]

1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 18700230) has the molecular formula C30H40N2O2 and a molecular weight of 460.66 g/mol. Its IUPAC name is 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID18700230
Molecular FormulaC30H40N2O2
Molecular Weight460.66 g/mol
Exact Mass460.31
IUPAC Name1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1ccc2c(c1)CCC1(CCN(CCCCN3CCC4(CCc5ccccc5O4)CC3)CC1)O2
InChIInChI=1S/C30H40N2O2/c1-3-9-27-25(7-1)11-13-29(33-27)15-21-31(22-16-29)19-5-6-20-32-23-17-30(18-24-32)14-12-26-8-2-4-10-28(26)34-30/h1-4,7-10H,5-6,11-24H2
InChIKeyWUWDAYJTBPAPJX-UHFFFAOYSA-N
XLogP5.49
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.66
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Phenylspiro[chromene-2,4''-piperidine]
CID 25129089
4-(p-Tolyl)spiro[chromene-2,4''-piperidine]
CID 25129090
1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine
CID 44396220
1''-Benzylspiro[chroman-2,4''-piperidine]
CID 10661409
1-[3-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949667
1-[3-[4-[4-[(E)-3-piperidin-1-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine
CID 15941903
1-[3-[4-[4-[(Z)-3-piperidin-1-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine
CID 15941904
1-(3-{[4'-(3-Piperidinoprop-1-yn-1-yl)biphenyl-4-yl]oxy}propyl)piperidine
CID 23150257
1-[3-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]phenyl]propyl]piperidine
CID 57672043
1-Methyl-4-xanthen-9-ylidene-piperidine
CID 10039173
4-Piperidinol, 4-(t-butyl)-1-((9-xanthenyl)methyl)-, hydrochloride, (+-)-
CID 3053252
1-Methyl-3-(2-(4-(3-methoxyphenyl)butyl)phenoxymethyl)piperidine
CID 10001250

Frequently Asked Questions

What is the IUPAC name of 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 18700230) is 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine] is c1ccc2c(c1)CCC1(CCN(CCCCN3CCC4(CCc5ccccc5O4)CC3)CC1)O2.
What is the InChIKey of 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is WUWDAYJTBPAPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O2/c1-3-9-27-25(7-1)11-13-29(33-27)15-21-31(22-16-29)19-5-6-20-32-23-17-30(18-24-32)14-12-26-8-2-4-10-28(26)34-30/h1-4,7-10H,5-6,11-24H2.
What are the key properties of 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 460.66 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 18700230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).