N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine

C29H41N3 — CID 127048663

IUPACN,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine
SMILESCN(C)C12CCN(CCN3CCCCC3)C(C(c3ccccc3)C1)C(c1ccccc1)C2
InChIInChI=1S/C29H41N3/c1-30(2)29-16-19-32(21-20-31-17-10-5-11-18-31)28(26(22-29)24-12-6-3-7-13-24)27(23-29)25-14-8-4-9-15-25/h3-4,6-9,12-15,26-28H,5,10-11,16-23H2,1-2H3
InChIKeyAOYQNFYQBUAOTQ-UHFFFAOYSA-N
MW431.67 g/mol
LogP5.21
Rot. Bonds6

About N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine

N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine (PubChem CID 127048663) has the molecular formula C29H41N3 and a molecular weight of 431.67 g/mol. Its IUPAC name is N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine
PubChem CID127048663
Molecular FormulaC29H41N3
Molecular Weight431.67 g/mol
Exact Mass431.33
IUPAC NameN,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine
SMILESCN(C)C12CCN(CCN3CCCCC3)C(C(c3ccccc3)C1)C(c1ccccc1)C2
InChIInChI=1S/C29H41N3/c1-30(2)29-16-19-32(21-20-31-17-10-5-11-18-31)28(26(22-29)24-12-6-3-7-13-24)27(23-29)25-14-8-4-9-15-25/h3-4,6-9,12-15,26-28H,5,10-11,16-23H2,1-2H3
InChIKeyAOYQNFYQBUAOTQ-UHFFFAOYSA-N
XLogP5.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.67
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine with MolForge

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Related Compounds

N,N-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine
CID 57401049
1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone
CID 127051457
N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine
CID 127049956
5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250165
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115875952
5-phenyl-3-(2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 84572821
1-(1,2-diphenylcyclopropyl)piperidine
CID 86177466
N-phenyl-N-(2-piperidin-1-ylethyl)aniline
CID 3064300
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine?
The IUPAC name of N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine (CID 127048663) is N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine.
What is the SMILES notation for N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine?
The canonical SMILES for N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine is CN(C)C12CCN(CCN3CCCCC3)C(C(c3ccccc3)C1)C(c1ccccc1)C2.
What is the InChIKey of N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine?
The InChIKey is AOYQNFYQBUAOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3/c1-30(2)29-16-19-32(21-20-31-17-10-5-11-18-31)28(26(22-29)24-12-6-3-7-13-24)27(23-29)25-14-8-4-9-15-25/h3-4,6-9,12-15,26-28H,5,10-11,16-23H2,1-2H3.
What are the key properties of N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine?
N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine has a molecular weight of 431.67 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine is sourced from PubChem (CID 127048663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).