(6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane

C29H55N4O3+ — CID 163876800

IUPAC(6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane
SMILESCN1C(C)(C)CC(OC2NC(OC3CCCCC3)N[C@H](OC3CCCCC3)[N+]23CCCC3)CC1(C)C
InChIInChI=1S/C29H55N4O3/c1-28(2)20-24(21-29(3,4)32(28)5)36-27-31-25(34-22-14-8-6-9-15-22)30-26(33(27)18-12-13-19-33)35-23-16-10-7-11-17-23/h22-27,30-31H,6-21H2,1-5H3/q+1/t25?,26-,27?/m0/s1
InChIKeyLICSDNBXUNMQKL-QLLQDVQFSA-N
MW507.78 g/mol
LogP5.01
Rot. Bonds6

About (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane

(6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane (PubChem CID 163876800) has the molecular formula C29H55N4O3+ and a molecular weight of 507.78 g/mol. Its IUPAC name is (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name(6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane
PubChem CID163876800
Molecular FormulaC29H55N4O3+
Molecular Weight507.78 g/mol
Exact Mass507.43
IUPAC Name(6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane
SMILESCN1C(C)(C)CC(OC2NC(OC3CCCCC3)N[C@H](OC3CCCCC3)[N+]23CCCC3)CC1(C)C
InChIInChI=1S/C29H55N4O3/c1-28(2)20-24(21-29(3,4)32(28)5)36-27-31-25(34-22-14-8-6-9-15-22)30-26(33(27)18-12-13-19-33)35-23-16-10-7-11-17-23/h22-27,30-31H,6-21H2,1-5H3/q+1/t25?,26-,27?/m0/s1
InChIKeyLICSDNBXUNMQKL-QLLQDVQFSA-N
XLogP5.01
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.78
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane with MolForge

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Related Compounds

4-cyclopropyloxy-1,2,2,6,6-pentamethylpiperidine
CID 163909888
1,2,2,6,6-pentamethyl-4-sulfanyloxypiperidine
CID 169238949
oxo-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]phosphanium
CID 15358025
4-(methoxymethoxy)-1,2,2,6,6-pentamethylpiperidine
CID 59745303
(1,2,2,6,6-pentamethylpiperidin-4-yl) formate
CID 54067513
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol
CID 88687607
tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid
CID 160951906
1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine
CID 91317203
CID 173424592
CID 173424592
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451

Frequently Asked Questions

What is the IUPAC name of (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane?
The IUPAC name of (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane (CID 163876800) is (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane.
What is the SMILES notation for (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane?
The canonical SMILES for (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane is CN1C(C)(C)CC(OC2NC(OC3CCCCC3)N[C@H](OC3CCCCC3)[N+]23CCCC3)CC1(C)C.
What is the InChIKey of (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane?
The InChIKey is LICSDNBXUNMQKL-QLLQDVQFSA-N. The full InChI is InChI=1S/C29H55N4O3/c1-28(2)20-24(21-29(3,4)32(28)5)36-27-31-25(34-22-14-8-6-9-15-22)30-26(33(27)18-12-13-19-33)35-23-16-10-7-11-17-23/h22-27,30-31H,6-21H2,1-5H3/q+1/t25?,26-,27?/m0/s1.
What are the key properties of (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane?
(6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane has a molecular weight of 507.78 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,8-dicyclohexyloxy-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-7,9-diaza-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 163876800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).