2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine

C15H29NO3 — CID 56554927

IUPAC2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine
SMILESCC(C)CCOCCN1CCCCC1C1OCCO1
InChIInChI=1S/C15H29NO3/c1-13(2)6-9-17-10-8-16-7-4-3-5-14(16)15-18-11-12-19-15/h13-15H,3-12H2,1-2H3
InChIKeyZIYWOYFWSWISOE-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.28
Rot. Bonds7

About 2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine

2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine (PubChem CID 56554927) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine
PubChem CID56554927
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine
SMILESCC(C)CCOCCN1CCCCC1C1OCCO1
InChIInChI=1S/C15H29NO3/c1-13(2)6-9-17-10-8-16-7-4-3-5-14(16)15-18-11-12-19-15/h13-15H,3-12H2,1-2H3
InChIKeyZIYWOYFWSWISOE-UHFFFAOYSA-N
XLogP2.28
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine (CID 56554927) is 2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine is CC(C)CCOCCN1CCCCC1C1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine?
The InChIKey is ZIYWOYFWSWISOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-13(2)6-9-17-10-8-16-7-4-3-5-14(16)15-18-11-12-19-15/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine?
2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine has a molecular weight of 271.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine is sourced from PubChem (CID 56554927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).