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

C18H35NO — CID 70899900

IUPAC1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine
SMILESCCCCOC[C@@H]1C[C@H](CCN2CCCCC2)C1(C)C
InChIInChI=1S/C18H35NO/c1-4-5-13-20-15-17-14-16(18(17,2)3)9-12-19-10-7-6-8-11-19/h16-17H,4-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyDVRJMRBNFWSDPE-IRXDYDNUSA-N
MW281.48 g/mol
LogP4.34
Rot. Bonds8

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

1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine (PubChem CID 70899900) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine
PubChem CID70899900
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine
SMILESCCCCOC[C@@H]1C[C@H](CCN2CCCCC2)C1(C)C
InChIInChI=1S/C18H35NO/c1-4-5-13-20-15-17-14-16(18(17,2)3)9-12-19-10-7-6-8-11-19/h16-17H,4-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyDVRJMRBNFWSDPE-IRXDYDNUSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.34
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,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine?
The IUPAC name of 1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine (CID 70899900) is 1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine?
The canonical SMILES for 1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine is CCCCOC[C@@H]1C[C@H](CCN2CCCCC2)C1(C)C.
What is the InChIKey of 1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine?
The InChIKey is DVRJMRBNFWSDPE-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-5-13-20-15-17-14-16(18(17,2)3)9-12-19-10-7-6-8-11-19/h16-17H,4-15H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of 1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine?
1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine has a molecular weight of 281.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine is sourced from PubChem (CID 70899900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).