3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol

C15H31NO — CID 114495612

IUPAC3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCC(CC)(CC)CC1
InChIInChI=1S/C15H31NO/c1-5-14(6-2)9-11-16(12-10-14)13-15(17,7-3)8-4/h17H,5-13H2,1-4H3
InChIKeyFUMLFQXSLICLSB-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds6

About 3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol

3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol (PubChem CID 114495612) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol
PubChem CID114495612
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCC(CC)(CC)CC1
InChIInChI=1S/C15H31NO/c1-5-14(6-2)9-11-16(12-10-14)13-15(17,7-3)8-4/h17H,5-13H2,1-4H3
InChIKeyFUMLFQXSLICLSB-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol?
The IUPAC name of 3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol (CID 114495612) is 3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol is CCC(O)(CC)CN1CCC(CC)(CC)CC1.
What is the InChIKey of 3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol?
The InChIKey is FUMLFQXSLICLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-14(6-2)9-11-16(12-10-14)13-15(17,7-3)8-4/h17H,5-13H2,1-4H3.
What are the key properties of 3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol?
3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol is sourced from PubChem (CID 114495612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).