4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine

C31H65N3 — CID 161134297

IUPAC4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCCCN1C.CC(C)CC1CCCN(C)C1.CN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C11H23N.2C10H21N/c1-11(2,3)9-10-5-7-12(4)8-6-10;1-9(2)7-10-5-4-6-11(3)8-10;1-9(2)8-10-6-4-5-7-11(10)3/h10H,5-9H2,1-4H3;2*9-10H,4-8H2,1-3H3
InChIKeyUMPBRHKASSPYNP-UHFFFAOYSA-N
MW479.88 g/mol
LogP7.66
Rot. Bonds5

About 4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine

4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine (PubChem CID 161134297) has the molecular formula C31H65N3 and a molecular weight of 479.88 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine
PubChem CID161134297
Molecular FormulaC31H65N3
Molecular Weight479.88 g/mol
Exact Mass479.52
IUPAC Name4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCCCN1C.CC(C)CC1CCCN(C)C1.CN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C11H23N.2C10H21N/c1-11(2,3)9-10-5-7-12(4)8-6-10;1-9(2)7-10-5-4-6-11(3)8-10;1-9(2)8-10-6-4-5-7-11(10)3/h10H,5-9H2,1-4H3;2*9-10H,4-8H2,1-3H3
InChIKeyUMPBRHKASSPYNP-UHFFFAOYSA-N
XLogP7.66
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.88
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine (CID 161134297) is 4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine is CC(C)CC1CCCCN1C.CC(C)CC1CCCN(C)C1.CN1CCC(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine?
The InChIKey is UMPBRHKASSPYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.2C10H21N/c1-11(2,3)9-10-5-7-12(4)8-6-10;1-9(2)7-10-5-4-6-11(3)8-10;1-9(2)8-10-6-4-5-7-11(10)3/h10H,5-9H2,1-4H3;2*9-10H,4-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine?
4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine has a molecular weight of 479.88 g/mol, XLogP of 7.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 161134297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).