6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C18H27ClN2 — CID 64838297

IUPAC6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CN(Cc2ccc(Cl)cc2)C2(CCCC2)CN1
InChIInChI=1S/C18H27ClN2/c1-14(2)17-12-21(11-15-5-7-16(19)8-6-15)18(13-20-17)9-3-4-10-18/h5-8,14,17,20H,3-4,9-13H2,1-2H3
InChIKeyVSSGZSXLAOPVSW-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.08
Rot. Bonds3

About 6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64838297) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64838297
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CN(Cc2ccc(Cl)cc2)C2(CCCC2)CN1
InChIInChI=1S/C18H27ClN2/c1-14(2)17-12-21(11-15-5-7-16(19)8-6-15)18(13-20-17)9-3-4-10-18/h5-8,14,17,20H,3-4,9-13H2,1-2H3
InChIKeyVSSGZSXLAOPVSW-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64838297) is 6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)C1CN(Cc2ccc(Cl)cc2)C2(CCCC2)CN1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is VSSGZSXLAOPVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-14(2)17-12-21(11-15-5-7-16(19)8-6-15)18(13-20-17)9-3-4-10-18/h5-8,14,17,20H,3-4,9-13H2,1-2H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 306.88 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64838297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).