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

C17H30N2 — CID 134943109

IUPAC(4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
SMILESCC1CC2C[C@]3(CCCCN3)C3CC2[C@H](C1)N(C)C3
InChIInChI=1S/C17H30N2/c1-12-7-13-10-17(5-3-4-6-18-17)14-9-15(13)16(8-12)19(2)11-14/h12-16,18H,3-11H2,1-2H3/t12?,13?,14?,15?,16-,17+/m0/s1
InChIKeyYRZIDGXKVCRUEN-PZMISXAISA-N
MW262.44 g/mol
LogP2.88
Rot. Bonds

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

(4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] (PubChem CID 134943109) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine].

Molecular Properties

Compound Name(4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
PubChem CID134943109
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]
SMILESCC1CC2C[C@]3(CCCCN3)C3CC2[C@H](C1)N(C)C3
InChIInChI=1S/C17H30N2/c1-12-7-13-10-17(5-3-4-6-18-17)14-9-15(13)16(8-12)19(2)11-14/h12-16,18H,3-11H2,1-2H3/t12?,13?,14?,15?,16-,17+/m0/s1
InChIKeyYRZIDGXKVCRUEN-PZMISXAISA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The IUPAC name of (4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] (CID 134943109) is (4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine].
What is the SMILES notation for (4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The canonical SMILES for (4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] is CC1CC2C[C@]3(CCCCN3)C3CC2[C@H](C1)N(C)C3.
What is the InChIKey of (4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
The InChIKey is YRZIDGXKVCRUEN-PZMISXAISA-N. The full InChI is InChI=1S/C17H30N2/c1-12-7-13-10-17(5-3-4-6-18-17)14-9-15(13)16(8-12)19(2)11-14/h12-16,18H,3-11H2,1-2H3/t12?,13?,14?,15?,16-,17+/m0/s1.
What are the key properties of (4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]?
(4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] has a molecular weight of 262.44 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,11R)-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine] is sourced from PubChem (CID 134943109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).