(6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol

C24H33N3O — CID 164689609

IUPAC(6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol
SMILESCN1CC[C@H](O)[C@@]2(CCCN(Cc3ccc(N(C)c4ccccc4)cc3)C2)C1
InChIInChI=1S/C24H33N3O/c1-25-16-13-23(28)24(18-25)14-6-15-27(19-24)17-20-9-11-22(12-10-20)26(2)21-7-4-3-5-8-21/h3-5,7-12,23,28H,6,13-19H2,1-2H3/t23-,24-/m0/s1
InChIKeyWEVLHEPQMCRXAX-ZEQRLZLVSA-N
MW379.55 g/mol
LogP3.73
Rot. Bonds4

About (6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol

(6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol (PubChem CID 164689609) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol.

Molecular Properties

Compound Name(6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol
PubChem CID164689609
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol
SMILESCN1CC[C@H](O)[C@@]2(CCCN(Cc3ccc(N(C)c4ccccc4)cc3)C2)C1
InChIInChI=1S/C24H33N3O/c1-25-16-13-23(28)24(18-25)14-6-15-27(19-24)17-20-9-11-22(12-10-20)26(2)21-7-4-3-5-8-21/h3-5,7-12,23,28H,6,13-19H2,1-2H3/t23-,24-/m0/s1
InChIKeyWEVLHEPQMCRXAX-ZEQRLZLVSA-N
XLogP3.73
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
2-[4-chloro-2-[[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methyl]phenoxy]acetic acid
CID 164688781
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 135110130
(6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol
CID 164689977
(3R,4R)-1-[[4-(N-methylanilino)phenyl]methyl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 133113566
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
formic acid;(4R,5R)-7-[[4-(2-phenylethoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 154918583
[3-(dimethylamino)phenyl]-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164699031
1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-2-phenylsulfanylethanone
CID 164691764
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401

Frequently Asked Questions

What is the IUPAC name of (6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
The IUPAC name of (6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol (CID 164689609) is (6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol.
What is the SMILES notation for (6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
The canonical SMILES for (6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol is CN1CC[C@H](O)[C@@]2(CCCN(Cc3ccc(N(C)c4ccccc4)cc3)C2)C1.
What is the InChIKey of (6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
The InChIKey is WEVLHEPQMCRXAX-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H33N3O/c1-25-16-13-23(28)24(18-25)14-6-15-27(19-24)17-20-9-11-22(12-10-20)26(2)21-7-4-3-5-8-21/h3-5,7-12,23,28H,6,13-19H2,1-2H3/t23-,24-/m0/s1.
What are the key properties of (6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol?
(6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol has a molecular weight of 379.55 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol is sourced from PubChem (CID 164689609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).