11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane

C18H27ClN2 — CID 64943252

IUPAC11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane
SMILESCC(c1ccccc1Cl)N1CCCNC2(CCCCC2)C1
InChIInChI=1S/C18H27ClN2/c1-15(16-8-3-4-9-17(16)19)21-13-7-12-20-18(14-21)10-5-2-6-11-18/h3-4,8-9,15,20H,2,5-7,10-14H2,1H3
InChIKeyAIAFRPXDBSJRQP-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.40
Rot. Bonds2

About 11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane

11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane (PubChem CID 64943252) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane
PubChem CID64943252
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane
SMILESCC(c1ccccc1Cl)N1CCCNC2(CCCCC2)C1
InChIInChI=1S/C18H27ClN2/c1-15(16-8-3-4-9-17(16)19)21-13-7-12-20-18(14-21)10-5-2-6-11-18/h3-4,8-9,15,20H,2,5-7,10-14H2,1H3
InChIKeyAIAFRPXDBSJRQP-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane (CID 64943252) is 11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane is CC(c1ccccc1Cl)N1CCCNC2(CCCCC2)C1.
What is the InChIKey of 11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane?
The InChIKey is AIAFRPXDBSJRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-15(16-8-3-4-9-17(16)19)21-13-7-12-20-18(14-21)10-5-2-6-11-18/h3-4,8-9,15,20H,2,5-7,10-14H2,1H3.
What are the key properties of 11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane?
11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane has a molecular weight of 306.88 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64943252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).