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

C18H32N2 — CID 134941512

IUPAC(6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
SMILESC[C@@H]1CC2C3CC(CN2C)C2(CCCCN2C)C[C@@H]3C1
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-IWECOHLESA-N
MW276.47 g/mol
LogP3.23
Rot. Bonds

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

(6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] (PubChem CID 134941512) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is (6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine].

Molecular Properties

Compound Name(6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
PubChem CID134941512
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name(6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
SMILESC[C@@H]1CC2C3CC(CN2C)C2(CCCCN2C)C[C@@H]3C1
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-IWECOHLESA-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 (6S,8S)-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 (6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The IUPAC name of (6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] (CID 134941512) is (6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine].
What is the SMILES notation for (6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The canonical SMILES for (6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] is C[C@@H]1CC2C3CC(CN2C)C2(CCCCN2C)C[C@@H]3C1.
What is the InChIKey of (6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The InChIKey is TXGHNQOTFHOXKS-IWECOHLESA-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 (6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
(6S,8S)-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 (6S,8S)-1',3,6-trimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] is sourced from PubChem (CID 134941512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).