N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine

C30H44N4 — CID 127049956

IUPACN,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine
SMILESCN1CCN(CCCN2CC3C(c4ccccc4)CC(N(C)C)(CC3c3ccccc3)C2)CC1
InChIInChI=1S/C30H44N4/c1-31(2)30-21-27(25-11-6-4-7-12-25)29(28(22-30)26-13-8-5-9-14-26)23-34(24-30)16-10-15-33-19-17-32(3)18-20-33/h4-9,11-14,27-29H,10,15-24H2,1-3H3
InChIKeySCVCWMQNRRGOPX-UHFFFAOYSA-N
MW460.71 g/mol
LogP4.22
Rot. Bonds7

About N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine

N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine (PubChem CID 127049956) has the molecular formula C30H44N4 and a molecular weight of 460.71 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine
PubChem CID127049956
Molecular FormulaC30H44N4
Molecular Weight460.71 g/mol
Exact Mass460.36
IUPAC NameN,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine
SMILESCN1CCN(CCCN2CC3C(c4ccccc4)CC(N(C)C)(CC3c3ccccc3)C2)CC1
InChIInChI=1S/C30H44N4/c1-31(2)30-21-27(25-11-6-4-7-12-25)29(28(22-30)26-13-8-5-9-14-26)23-34(24-30)16-10-15-33-19-17-32(3)18-20-33/h4-9,11-14,27-29H,10,15-24H2,1-3H3
InChIKeySCVCWMQNRRGOPX-UHFFFAOYSA-N
XLogP4.22
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.71
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine
CID 127048663
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 67065292
N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 122548841
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 122550633
[(3R,4R,5S)-4-(2,3-dimethylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-5-phenylpiperidin-3-yl]-phenylmethanone
CID 173119869
1-butyl-3,4-diphenylpiperidine;hydrochloride
CID 3030420
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
3-(4-methylpiperazin-1-yl)-1-[5-(4-methylpiperazin-1-yl)-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-2-yl]propan-1-one
CID 57397609

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine (CID 127049956) is N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine is CN1CCN(CCCN2CC3C(c4ccccc4)CC(N(C)C)(CC3c3ccccc3)C2)CC1.
What is the InChIKey of N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine?
The InChIKey is SCVCWMQNRRGOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4/c1-31(2)30-21-27(25-11-6-4-7-12-25)29(28(22-30)26-13-8-5-9-14-26)23-34(24-30)16-10-15-33-19-17-32(3)18-20-33/h4-9,11-14,27-29H,10,15-24H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine?
N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine has a molecular weight of 460.71 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine is sourced from PubChem (CID 127049956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).