10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline

C22H28N2Si — CID 157236071

IUPAC10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline
SMILESC=c1ccc2c(c1)[Si](C)(CCC)c1cc(N3CCCCC3)ccc1N=2
InChIInChI=1S/C22H28N2Si/c1-4-14-25(3)21-15-17(2)8-10-19(21)23-20-11-9-18(16-22(20)25)24-12-6-5-7-13-24/h8-11,15-16H,2,4-7,12-14H2,1,3H3
InChIKeyDGAYERHCDHLIBY-UHFFFAOYSA-N
MW348.57 g/mol
LogP2.95
Rot. Bonds3

About 10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline

10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline (PubChem CID 157236071) has the molecular formula C22H28N2Si and a molecular weight of 348.57 g/mol. Its IUPAC name is 10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline
PubChem CID157236071
Molecular FormulaC22H28N2Si
Molecular Weight348.57 g/mol
Exact Mass348.20
IUPAC Name10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline
SMILESC=c1ccc2c(c1)[Si](C)(CCC)c1cc(N3CCCCC3)ccc1N=2
InChIInChI=1S/C22H28N2Si/c1-4-14-25(3)21-15-17(2)8-10-19(21)23-20-11-9-18(16-22(20)25)24-12-6-5-7-13-24/h8-11,15-16H,2,4-7,12-14H2,1,3H3
InChIKeyDGAYERHCDHLIBY-UHFFFAOYSA-N
XLogP2.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.57
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
(3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine
CID 146369999
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one
CID 160916449
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
1-[3-(fluoromethyl)-4-methylphenyl]piperidine
CID 174505222
1-(4-piperidin-1-ylphenyl)butan-2-ol
CID 82160958
2-methyl-6-piperidin-1-ylquinoline
CID 82242491
6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112926428
1-(3-methylphenyl)piperidine;propane
CID 143942273

Frequently Asked Questions

What is the IUPAC name of 10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline?
The IUPAC name of 10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline (CID 157236071) is 10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline is C=c1ccc2c(c1)[Si](C)(CCC)c1cc(N3CCCCC3)ccc1N=2.
What is the InChIKey of 10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline?
The InChIKey is DGAYERHCDHLIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2Si/c1-4-14-25(3)21-15-17(2)8-10-19(21)23-20-11-9-18(16-22(20)25)24-12-6-5-7-13-24/h8-11,15-16H,2,4-7,12-14H2,1,3H3.
What are the key properties of 10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline?
10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline has a molecular weight of 348.57 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 157236071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).