4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine

C13H27NO — CID 146180746

IUPAC4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine
SMILESCOC(C)(C)CC(C)(C)C1CCNCC1
InChIInChI=1S/C13H27NO/c1-12(2,10-13(3,4)15-5)11-6-8-14-9-7-11/h11,14H,6-10H2,1-5H3
InChIKeySWCXFWYKJIWHMK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds4

About 4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine

4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine (PubChem CID 146180746) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine.

Molecular Properties

Compound Name4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine
PubChem CID146180746
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine
SMILESCOC(C)(C)CC(C)(C)C1CCNCC1
InChIInChI=1S/C13H27NO/c1-12(2,10-13(3,4)15-5)11-6-8-14-9-7-11/h11,14H,6-10H2,1-5H3
InChIKeySWCXFWYKJIWHMK-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxy-3-methylbutoxy)piperidine
CID 59527126
N,N,2-trimethyl-2-piperidin-4-ylpropan-1-amine;dihydrochloride
CID 119031198
2-methyl-2-piperidin-4-ylpropane-1-sulfonyl fluoride
CID 115034076
6-(2,5-dimethyl-5-piperidin-4-ylhexan-2-yl)-3-azabicyclo[3.1.0]hexane
CID 129145303
4-(3-methoxy-3-methylbutoxy)azepane
CID 106668192
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
2-piperidin-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 155075563
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
4-(2,3,3-trimethylpentan-2-yl)piperidine
CID 142407783
(4-methoxy-2-methylbutan-2-yl)cyclopentane
CID 172526249
4-(1,1-difluoroethyl)piperidine;hydrochloride
CID 84718975
4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
CID 106777691

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine?
The IUPAC name of 4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine (CID 146180746) is 4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine.
What is the SMILES notation for 4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine?
The canonical SMILES for 4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine is COC(C)(C)CC(C)(C)C1CCNCC1.
What is the InChIKey of 4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine?
The InChIKey is SWCXFWYKJIWHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,10-13(3,4)15-5)11-6-8-14-9-7-11/h11,14H,6-10H2,1-5H3.
What are the key properties of 4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine?
4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine is sourced from PubChem (CID 146180746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).