cyclobutanol;(4S)-3,3,4-trimethylpiperidine

C12H25NO — CID 171847210

IUPACcyclobutanol;(4S)-3,3,4-trimethylpiperidine
SMILESC[C@H]1CCNCC1(C)C.OC1CCC1
InChIInChI=1S/C8H17N.C4H8O/c1-7-4-5-9-6-8(7,2)3;5-4-2-1-3-4/h7,9H,4-6H2,1-3H3;4-5H,1-3H2/t7-;/m0./s1
InChIKeyVXYZPPFHIGTBCX-FJXQXJEOSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds

About cyclobutanol;(4S)-3,3,4-trimethylpiperidine

cyclobutanol;(4S)-3,3,4-trimethylpiperidine (PubChem CID 171847210) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is cyclobutanol;(4S)-3,3,4-trimethylpiperidine.

Molecular Properties

Compound Namecyclobutanol;(4S)-3,3,4-trimethylpiperidine
PubChem CID171847210
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Namecyclobutanol;(4S)-3,3,4-trimethylpiperidine
SMILESC[C@H]1CCNCC1(C)C.OC1CCC1
InChIInChI=1S/C8H17N.C4H8O/c1-7-4-5-9-6-8(7,2)3;5-4-2-1-3-4/h7,9H,4-6H2,1-3H3;4-5H,1-3H2/t7-;/m0./s1
InChIKeyVXYZPPFHIGTBCX-FJXQXJEOSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutanol;(4S)-3,3,4-trimethylpiperidine?
The IUPAC name of cyclobutanol;(4S)-3,3,4-trimethylpiperidine (CID 171847210) is cyclobutanol;(4S)-3,3,4-trimethylpiperidine.
What is the SMILES notation for cyclobutanol;(4S)-3,3,4-trimethylpiperidine?
The canonical SMILES for cyclobutanol;(4S)-3,3,4-trimethylpiperidine is C[C@H]1CCNCC1(C)C.OC1CCC1.
What is the InChIKey of cyclobutanol;(4S)-3,3,4-trimethylpiperidine?
The InChIKey is VXYZPPFHIGTBCX-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17N.C4H8O/c1-7-4-5-9-6-8(7,2)3;5-4-2-1-3-4/h7,9H,4-6H2,1-3H3;4-5H,1-3H2/t7-;/m0./s1.
What are the key properties of cyclobutanol;(4S)-3,3,4-trimethylpiperidine?
cyclobutanol;(4S)-3,3,4-trimethylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanol;(4S)-3,3,4-trimethylpiperidine is sourced from PubChem (CID 171847210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).