1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine

C17H33NO — CID 70306773

IUPAC1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine
SMILESCCCCOC[C@@H]1C[C@H](CCN2CCCCC2)[C@@H]1C
InChIInChI=1S/C17H33NO/c1-3-4-12-19-14-17-13-16(15(17)2)8-11-18-9-6-5-7-10-18/h15-17H,3-14H2,1-2H3/t15-,16-,17-/m0/s1
InChIKeyOFOUWXOIVJQSAB-ULQDDVLXSA-N
MW267.46 g/mol
LogP3.95
Rot. Bonds8

About 1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine

1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine (PubChem CID 70306773) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine
PubChem CID70306773
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine
SMILESCCCCOC[C@@H]1C[C@H](CCN2CCCCC2)[C@@H]1C
InChIInChI=1S/C17H33NO/c1-3-4-12-19-14-17-13-16(15(17)2)8-11-18-9-6-5-7-10-18/h15-17H,3-14H2,1-2H3/t15-,16-,17-/m0/s1
InChIKeyOFOUWXOIVJQSAB-ULQDDVLXSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.95
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 1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine?
The IUPAC name of 1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine (CID 70306773) is 1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine?
The canonical SMILES for 1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine is CCCCOC[C@@H]1C[C@H](CCN2CCCCC2)[C@@H]1C.
What is the InChIKey of 1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine?
The InChIKey is OFOUWXOIVJQSAB-ULQDDVLXSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-4-12-19-14-17-13-16(15(17)2)8-11-18-9-6-5-7-10-18/h15-17H,3-14H2,1-2H3/t15-,16-,17-/m0/s1.
What are the key properties of 1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine?
1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine has a molecular weight of 267.46 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine is sourced from PubChem (CID 70306773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).