4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine

C21H44N2 — CID 177033063

IUPAC4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
SMILESCC(C)CN1CCC(C)(C)CC1.CCCN1CCCC(C)(C)C1
InChIInChI=1S/C11H23N.C10H21N/c1-10(2)9-12-7-5-11(3,4)6-8-12;1-4-7-11-8-5-6-10(2,3)9-11/h10H,5-9H2,1-4H3;4-9H2,1-3H3
InChIKeyBDWXNOCLKDMKDW-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.28
Rot. Bonds4

About 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine

4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine (PubChem CID 177033063) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
PubChem CID177033063
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Name4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
SMILESCC(C)CN1CCC(C)(C)CC1.CCCN1CCCC(C)(C)C1
InChIInChI=1S/C11H23N.C10H21N/c1-10(2)9-12-7-5-11(3,4)6-8-12;1-4-7-11-8-5-6-10(2,3)9-11/h10H,5-9H2,1-4H3;4-9H2,1-3H3
InChIKeyBDWXNOCLKDMKDW-UHFFFAOYSA-N
XLogP5.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine 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

4,4-dimethyl-1-propylazocane;ethane
CID 144928952
4,4-dimethyl-1-pentylazepane
CID 18723213
1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
CID 65281511
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
(2R)-1-(3,3-dimethylpiperidin-1-yl)propan-2-amine
CID 103934688
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 163400374
1-(2,2-dimethoxyethyl)-4,4-dimethylazepane
CID 66222358
1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine
CID 65281081
(2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 112736755
1-hexyl-4,4-dimethylpiperidine
CID 18722930
3,3-dimethyl-1-(2-propylpentyl)pyrrolidine
CID 123859198

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine?
The IUPAC name of 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine (CID 177033063) is 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine?
The canonical SMILES for 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine is CC(C)CN1CCC(C)(C)CC1.CCCN1CCCC(C)(C)C1.
What is the InChIKey of 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine?
The InChIKey is BDWXNOCLKDMKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H21N/c1-10(2)9-12-7-5-11(3,4)6-8-12;1-4-7-11-8-5-6-10(2,3)9-11/h10H,5-9H2,1-4H3;4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine?
4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine has a molecular weight of 324.60 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine is sourced from PubChem (CID 177033063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).