4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine

C14H29NO — CID 129254213

IUPAC4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine
SMILESCCC(C)(CC)OC1CCN(C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-6-14(5,7-2)16-13-8-10-15(11-9-13)12(3)4/h12-13H,6-11H2,1-5H3
InChIKeyZVVAWNBXUIACTI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.45
Rot. Bonds5

About 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine

4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine (PubChem CID 129254213) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine
PubChem CID129254213
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine
SMILESCCC(C)(CC)OC1CCN(C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-6-14(5,7-2)16-13-8-10-15(11-9-13)12(3)4/h12-13H,6-11H2,1-5H3
InChIKeyZVVAWNBXUIACTI-UHFFFAOYSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine 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

CID 75396291
CID 75396291
CID 58364950
CID 58364950
CID 117970577
CID 117970577
CID 118688852
CID 118688852
CID 130278938
CID 130278938
CID 139447065
CID 139447065
CID 155452128
CID 155452128
CID 155452202
CID 155452202
CID 156223575
CID 156223575
CID 169684994
CID 169684994
CID 169685098
CID 169685098
CID 169685284
CID 169685284

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine (CID 129254213) is 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine is CCC(C)(CC)OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine?
The InChIKey is ZVVAWNBXUIACTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-14(5,7-2)16-13-8-10-15(11-9-13)12(3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine?
4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine has a molecular weight of 227.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpentan-3-yloxy)-1-propan-2-ylpiperidine is sourced from PubChem (CID 129254213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).