1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride

C22H34ClNO — CID 3061097

IUPAC1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride
SMILESCc1ccc(C2C(CN3CCCCC3)COC23CCCCC3)cc1.Cl
InChIInChI=1S/C22H33NO.ClH/c1-18-8-10-19(11-9-18)21-20(16-23-14-6-3-7-15-23)17-24-22(21)12-4-2-5-13-22;/h8-11,20-21H,2-7,12-17H2,1H3;1H
InChIKeyUQDCLBSFUTULGT-UHFFFAOYSA-N
MW363.97 g/mol
LogP5.34
Rot. Bonds3

About 1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride

1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride (PubChem CID 3061097) has the molecular formula C22H34ClNO and a molecular weight of 363.97 g/mol. Its IUPAC name is 1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride
PubChem CID3061097
Molecular FormulaC22H34ClNO
Molecular Weight363.97 g/mol
Exact Mass363.23
IUPAC Name1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride
SMILESCc1ccc(C2C(CN3CCCCC3)COC23CCCCC3)cc1.Cl
InChIInChI=1S/C22H33NO.ClH/c1-18-8-10-19(11-9-18)21-20(16-23-14-6-3-7-15-23)17-24-22(21)12-4-2-5-13-22;/h8-11,20-21H,2-7,12-17H2,1H3;1H
InChIKeyUQDCLBSFUTULGT-UHFFFAOYSA-N
XLogP5.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.97
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride?
The IUPAC name of 1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride (CID 3061097) is 1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride is Cc1ccc(C2C(CN3CCCCC3)COC23CCCCC3)cc1.Cl.
What is the InChIKey of 1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride?
The InChIKey is UQDCLBSFUTULGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO.ClH/c1-18-8-10-19(11-9-18)21-20(16-23-14-6-3-7-15-23)17-24-22(21)12-4-2-5-13-22;/h8-11,20-21H,2-7,12-17H2,1H3;1H.
What are the key properties of 1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride?
1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride has a molecular weight of 363.97 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methylphenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 3061097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).