1-butylpiperidin-4-ol;methane

C10H23NO — CID 23291440

IUPAC1-butylpiperidin-4-ol;methane
SMILESC.CCCCN1CCC(O)CC1
InChIInChI=1S/C9H19NO.CH4/c1-2-3-6-10-7-4-9(11)5-8-10;/h9,11H,2-8H2,1H3;1H4
InChIKeyFBNRPVPYSHJFMB-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.88
Rot. Bonds3

About 1-butylpiperidin-4-ol;methane

1-butylpiperidin-4-ol;methane (PubChem CID 23291440) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-butylpiperidin-4-ol;methane.

Molecular Properties

Compound Name1-butylpiperidin-4-ol;methane
PubChem CID23291440
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-butylpiperidin-4-ol;methane
SMILESC.CCCCN1CCC(O)CC1
InChIInChI=1S/C9H19NO.CH4/c1-2-3-6-10-7-4-9(11)5-8-10;/h9,11H,2-8H2,1H3;1H4
InChIKeyFBNRPVPYSHJFMB-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butylpiperidin-4-ol;methane?
The IUPAC name of 1-butylpiperidin-4-ol;methane (CID 23291440) is 1-butylpiperidin-4-ol;methane.
What is the SMILES notation for 1-butylpiperidin-4-ol;methane?
The canonical SMILES for 1-butylpiperidin-4-ol;methane is C.CCCCN1CCC(O)CC1.
What is the InChIKey of 1-butylpiperidin-4-ol;methane?
The InChIKey is FBNRPVPYSHJFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.CH4/c1-2-3-6-10-7-4-9(11)5-8-10;/h9,11H,2-8H2,1H3;1H4.
What are the key properties of 1-butylpiperidin-4-ol;methane?
1-butylpiperidin-4-ol;methane has a molecular weight of 173.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpiperidin-4-ol;methane is sourced from PubChem (CID 23291440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).