(1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]

C18H32N2 — CID 25058830

IUPAC(1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
SMILESC[C@@H]1C[C@H]2C[C@]3(CCCCN3C)[C@@H]3C[C@H]2[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-/m1/s1
InChIKeyTXGHNQOTFHOXKS-NWCWSAAOSA-N
MW276.47 g/mol
LogP3.23
Rot. Bonds

About (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]

(1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] (PubChem CID 25058830) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine].

Molecular Properties

Compound Name(1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
PubChem CID25058830
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name(1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
SMILESC[C@@H]1C[C@H]2C[C@]3(CCCCN3C)[C@@H]3C[C@H]2[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-/m1/s1
InChIKeyTXGHNQOTFHOXKS-NWCWSAAOSA-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 (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The IUPAC name of (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] (CID 25058830) is (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine].
What is the SMILES notation for (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The canonical SMILES for (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] is C[C@@H]1C[C@H]2C[C@]3(CCCCN3C)[C@@H]3C[C@H]2[C@H](C1)N(C)C3.
What is the InChIKey of (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The InChIKey is TXGHNQOTFHOXKS-NWCWSAAOSA-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-/m1/s1.
What are the key properties of (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
(1R,4S,6R,8S,9R,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 (1R,4S,6R,8S,9R,11R)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] is sourced from PubChem (CID 25058830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).