(4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]

C18H32N2 — CID 134943110

IUPAC(4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
SMILESCC1CC2C[C@]3(CCCCN3C)C3CC2[C@H](C1)N(C)C3
InChIInChI=1S/C18H32N2/c1-13-8-14-11-18(6-4-5-7-20(18)3)15-10-16(14)17(9-13)19(2)12-15/h13-17H,4-12H2,1-3H3/t13?,14?,15?,16?,17-,18+/m0/s1
InChIKeyTXGHNQOTFHOXKS-BMJRNUJTSA-N
MW276.47 g/mol
LogP3.23
Rot. Bonds

About (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]

(4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] (PubChem CID 134943110) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine].

Molecular Properties

Compound Name(4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
PubChem CID134943110
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name(4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
SMILESCC1CC2C[C@]3(CCCCN3C)C3CC2[C@H](C1)N(C)C3
InChIInChI=1S/C18H32N2/c1-13-8-14-11-18(6-4-5-7-20(18)3)15-10-16(14)17(9-13)19(2)12-15/h13-17H,4-12H2,1-3H3/t13?,14?,15?,16?,17-,18+/m0/s1
InChIKeyTXGHNQOTFHOXKS-BMJRNUJTSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] with MolForge

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Related Compounds

(1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
CID 25058830
Lycopodane
CID 6857503
N,N'-Dimethylphlegmarine
CID 181850
HS 342
CID 193767
Methylperhydroazapyrene
CID 129724119
Dimethyl-4,9-diazatricyclo[6,2,2,02,7] dodecane
CID 129784053
(6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
CID 134941512
(6S,8S)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
CID 134941513
(4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
CID 134943109
(5S,9aS)-1,8-dimethylspiro[3,3a,4,6,6a,7,8,9,9a,9b-decahydro-2H-benzo[de]quinoline-5,2'-piperidine]
CID 164681177
(4aS,4bR,6aS,8R,10aS,10bS,12aS)-1,1,10a,12a-tetramethyl-8-(1-methylpyrrolidin-1-ium-1-yl)-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]quinolin-1-ium
CID 155568
(11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
CID 16129090

Frequently Asked Questions

What is the IUPAC name of (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The IUPAC name of (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] (CID 134943110) is (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine].
What is the SMILES notation for (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The canonical SMILES for (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] is CC1CC2C[C@]3(CCCCN3C)C3CC2[C@H](C1)N(C)C3.
What is the InChIKey of (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The InChIKey is TXGHNQOTFHOXKS-BMJRNUJTSA-N. The full InChI is InChI=1S/C18H32N2/c1-13-8-14-11-18(6-4-5-7-20(18)3)15-10-16(14)17(9-13)19(2)12-15/h13-17H,4-12H2,1-3H3/t13?,14?,15?,16?,17-,18+/m0/s1.
What are the key properties of (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
(4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] has a molecular weight of 276.47 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] is sourced from PubChem (CID 134943110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).