2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

C25H32ClNO — CID 158822502

IUPAC2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESClc1ccc(CCCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C25H32ClNO/c26-22-12-10-21(11-13-22)8-2-1-4-14-24(23-9-3-7-18-27-23)17-19-28-25(20-24)15-5-6-16-25/h3,7,9-13,18H,1-2,4-6,8,14-17,19-20H2/t24-/m1/s1
InChIKeyIWAYXKGTXZRENW-XMMPIXPASA-N
MW397.99 g/mol
LogP6.90
Rot. Bonds7

About 2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 158822502) has the molecular formula C25H32ClNO and a molecular weight of 397.99 g/mol. Its IUPAC name is 2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.

Molecular Properties

Compound Name2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
PubChem CID158822502
Molecular FormulaC25H32ClNO
Molecular Weight397.99 g/mol
Exact Mass397.22
IUPAC Name2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESClc1ccc(CCCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C25H32ClNO/c26-22-12-10-21(11-13-22)8-2-1-4-14-24(23-9-3-7-18-27-23)17-19-28-25(20-24)15-5-6-16-25/h3,7,9-13,18H,1-2,4-6,8,14-17,19-20H2/t24-/m1/s1
InChIKeyIWAYXKGTXZRENW-XMMPIXPASA-N
XLogP6.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.99
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of 2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 158822502) is 2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for 2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for 2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is Clc1ccc(CCCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cc1.
What is the InChIKey of 2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is IWAYXKGTXZRENW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H32ClNO/c26-22-12-10-21(11-13-22)8-2-1-4-14-24(23-9-3-7-18-27-23)17-19-28-25(20-24)15-5-6-16-25/h3,7,9-13,18H,1-2,4-6,8,14-17,19-20H2/t24-/m1/s1.
What are the key properties of 2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 397.99 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 158822502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).