11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane

C18H27ClN2 — CID 106870402

IUPAC11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
SMILESCc1ccc(CN2CCCNC3(CCCCC3)C2)c(Cl)c1
InChIInChI=1S/C18H27ClN2/c1-15-6-7-16(17(19)12-15)13-21-11-5-10-20-18(14-21)8-3-2-4-9-18/h6-7,12,20H,2-5,8-11,13-14H2,1H3
InChIKeyGITQCPLKZFUPDF-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.15
Rot. Bonds2

About 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane

11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane (PubChem CID 106870402) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
PubChem CID106870402
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
SMILESCc1ccc(CN2CCCNC3(CCCCC3)C2)c(Cl)c1
InChIInChI=1S/C18H27ClN2/c1-15-6-7-16(17(19)12-15)13-21-11-5-10-20-18(14-21)8-3-2-4-9-18/h6-7,12,20H,2-5,8-11,13-14H2,1H3
InChIKeyGITQCPLKZFUPDF-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane (CID 106870402) is 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane is Cc1ccc(CN2CCCNC3(CCCCC3)C2)c(Cl)c1.
What is the InChIKey of 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
The InChIKey is GITQCPLKZFUPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-15-6-7-16(17(19)12-15)13-21-11-5-10-20-18(14-21)8-3-2-4-9-18/h6-7,12,20H,2-5,8-11,13-14H2,1H3.
What are the key properties of 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane?
11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane has a molecular weight of 306.88 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 106870402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).