3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol

C14H27NO — CID 176585106

IUPAC3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(N2CCCC(C(C)(C)C)C2)C1
InChIInChI=1S/C14H27NO/c1-13(2,3)11-6-5-7-15(10-11)12-8-14(4,16)9-12/h11-12,16H,5-10H2,1-4H3
InChIKeySKLUGXUAUJLJTO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds1

About 3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol

3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol (PubChem CID 176585106) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol
PubChem CID176585106
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(N2CCCC(C(C)(C)C)C2)C1
InChIInChI=1S/C14H27NO/c1-13(2,3)11-6-5-7-15(10-11)12-8-14(4,16)9-12/h11-12,16H,5-10H2,1-4H3
InChIKeySKLUGXUAUJLJTO-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol?
The IUPAC name of 3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol (CID 176585106) is 3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol is CC1(O)CC(N2CCCC(C(C)(C)C)C2)C1.
What is the InChIKey of 3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol?
The InChIKey is SKLUGXUAUJLJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)11-6-5-7-15(10-11)12-8-14(4,16)9-12/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol?
3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylpiperidin-1-yl)-1-methylcyclobutan-1-ol is sourced from PubChem (CID 176585106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).