1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine

C20H40N2 — CID 159988708

IUPAC1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
SMILESCC(C)(C)CN1CCC(C2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H40N2/c1-19(2,3)15-21-11-7-17(8-12-21)18-9-13-22(14-10-18)16-20(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeySEDFJTGCYDREME-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.50
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine

1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine (PubChem CID 159988708) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
PubChem CID159988708
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
SMILESCC(C)(C)CN1CCC(C2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H40N2/c1-19(2,3)15-21-11-7-17(8-12-21)18-9-13-22(14-10-18)16-20(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeySEDFJTGCYDREME-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine 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

3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibutyl-9,9-dimethyl-
CID 198668
3,7-Dibutyl-9-ethyl-9-methyl-3,7-diazabicyclo[3.3.1]nonane
CID 10564743
9-Butyl-9-ethyl-3,7-dihexyl-3,7-diazabicyclo[3.3.1]nonane
CID 10809691
3,7-Dibutylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclobutane]
CID 10850250
3-Butyl-9,9-dimethyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane
CID 15745323
9,9-Diethyl-3-hexyl-7-methyl-3,7-diazabicyclo[3.3.1]nonane
CID 44340721
1-[4-(3,3-Dimethylpiperidin-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride
CID 57402902
9,9-Diethyl-3,7-dipropyl-3,7-diazabicyclo[3.3.1]nonane
CID 10801745
9-Methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane
CID 10825682
3,7-Didecyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 10694152
1-Methyl-4-(1-tridecylpiperidin-4-yl)piperidine;dihydrochloride
CID 11539395
1-Methyl-4-(1-pentadecylpiperidin-4-yl)piperidine;dihydrochloride
CID 11583539

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine (CID 159988708) is 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine is CC(C)(C)CN1CCC(C2CCN(CC(C)(C)C)CC2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine?
The InChIKey is SEDFJTGCYDREME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-19(2,3)15-21-11-7-17(8-12-21)18-9-13-22(14-10-18)16-20(4,5)6/h17-18H,7-16H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine?
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine has a molecular weight of 308.55 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine is sourced from PubChem (CID 159988708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).