4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane

C18H27ClN2 — CID 64875519

IUPAC4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1Cc1ccccc1Cl
InChIInChI=1S/C18H27ClN2/c1-17(2)13-20-18(10-6-3-7-11-18)14-21(17)12-15-8-4-5-9-16(15)19/h4-5,8-9,20H,3,6-7,10-14H2,1-2H3
InChIKeyVWFFRKPUTXFGTC-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.23
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane

4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64875519) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
PubChem CID64875519
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1Cc1ccccc1Cl
InChIInChI=1S/C18H27ClN2/c1-17(2)13-20-18(10-6-3-7-11-18)14-21(17)12-15-8-4-5-9-16(15)19/h4-5,8-9,20H,3,6-7,10-14H2,1-2H3
InChIKeyVWFFRKPUTXFGTC-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane (CID 64875519) is 4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane is CC1(C)CNC2(CCCCC2)CN1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is VWFFRKPUTXFGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-17(2)13-20-18(10-6-3-7-11-18)14-21(17)12-15-8-4-5-9-16(15)19/h4-5,8-9,20H,3,6-7,10-14H2,1-2H3.
What are the key properties of 4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 306.88 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64875519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).