3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine

C13H27NO — CID 147106841

IUPAC3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine
SMILESCC(C)OCCCN1CCCC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-12(2)15-10-6-9-14-8-5-7-13(3,4)11-14/h12H,5-11H2,1-4H3
InChIKeyBLSRVUJZCIAQDU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds5

About 3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine

3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine (PubChem CID 147106841) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine
PubChem CID147106841
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine
SMILESCC(C)OCCCN1CCCC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-12(2)15-10-6-9-14-8-5-7-13(3,4)11-14/h12H,5-11H2,1-4H3
InChIKeyBLSRVUJZCIAQDU-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine?
The IUPAC name of 3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine (CID 147106841) is 3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine.
What is the SMILES notation for 3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine?
The canonical SMILES for 3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine is CC(C)OCCCN1CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine?
The InChIKey is BLSRVUJZCIAQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)15-10-6-9-14-8-5-7-13(3,4)11-14/h12H,5-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine?
3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine is sourced from PubChem (CID 147106841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).