3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol

C26H40N2O — CID 170000068

IUPAC3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol
SMILESCc1cc(C2CCN([C@@H]3CCC4(CNC4)C3)CC2)c(C2CCC(O)C2)c(C)c1C
InChIInChI=1S/C26H40N2O/c1-17-12-24(25(19(3)18(17)2)21-4-5-23(29)13-21)20-7-10-28(11-8-20)22-6-9-26(14-22)15-27-16-26/h12,20-23,27,29H,4-11,13-16H2,1-3H3/t21?,22-,23?/m1/s1
InChIKeyRUSYNIZOJKKEFK-OOMBGRCJSA-N
MW396.62 g/mol
LogP4.56
Rot. Bonds3

About 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol

3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol (PubChem CID 170000068) has the molecular formula C26H40N2O and a molecular weight of 396.62 g/mol. Its IUPAC name is 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol
PubChem CID170000068
Molecular FormulaC26H40N2O
Molecular Weight396.62 g/mol
Exact Mass396.31
IUPAC Name3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol
SMILESCc1cc(C2CCN([C@@H]3CCC4(CNC4)C3)CC2)c(C2CCC(O)C2)c(C)c1C
InChIInChI=1S/C26H40N2O/c1-17-12-24(25(19(3)18(17)2)21-4-5-23(29)13-21)20-7-10-28(11-8-20)22-6-9-26(14-22)15-27-16-26/h12,20-23,27,29H,4-11,13-16H2,1-3H3/t21?,22-,23?/m1/s1
InChIKeyRUSYNIZOJKKEFK-OOMBGRCJSA-N
XLogP4.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol with MolForge

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Related Compounds

2,3,4-trimethyl-6-[1-[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl]piperidin-4-yl]phenol
CID 170384163
(6R)-6-[4-[2-(difluoromethoxy)-4-fluorophenyl]piperidin-1-yl]-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175777304
tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;(6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane
CID 175777384
6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde
CID 175239982
(7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
CID 170384202
4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol
CID 158525619
6-[4-(difluoromethyl)-3-methylphenyl]-2-azaspiro[3.4]octane
CID 175711436
1-[(1S,5S)-3-bicyclo[3.2.1]octanyl]-4-(2-methylphenyl)piperidine
CID 124635425
(5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
CID 134939192
3-(2,6-difluoro-3-methylphenyl)cyclopentan-1-ol
CID 82822176
(6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane
CID 176910502
tert-butyl (7S)-7-[4-[3,4,5-trimethyl-2-[(E)-oxolan-3-ylidenemethyl]phenyl]piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 170384192

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol?
The IUPAC name of 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol (CID 170000068) is 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol?
The canonical SMILES for 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol is Cc1cc(C2CCN([C@@H]3CCC4(CNC4)C3)CC2)c(C2CCC(O)C2)c(C)c1C.
What is the InChIKey of 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol?
The InChIKey is RUSYNIZOJKKEFK-OOMBGRCJSA-N. The full InChI is InChI=1S/C26H40N2O/c1-17-12-24(25(19(3)18(17)2)21-4-5-23(29)13-21)20-7-10-28(11-8-20)22-6-9-26(14-22)15-27-16-26/h12,20-23,27,29H,4-11,13-16H2,1-3H3/t21?,22-,23?/m1/s1.
What are the key properties of 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol?
3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol has a molecular weight of 396.62 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol is sourced from PubChem (CID 170000068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).