4-(4-octylpiperidin-1-yl)butan-1-ol

C17H35NO — CID 71395098

IUPAC4-(4-octylpiperidin-1-yl)butan-1-ol
SMILESCCCCCCCCC1CCN(CCCCO)CC1
InChIInChI=1S/C17H35NO/c1-2-3-4-5-6-7-10-17-11-14-18(15-12-17)13-8-9-16-19/h17,19H,2-16H2,1H3
InChIKeySHMOGEFBIOWVQZ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.22
Rot. Bonds11

About 4-(4-octylpiperidin-1-yl)butan-1-ol

4-(4-octylpiperidin-1-yl)butan-1-ol (PubChem CID 71395098) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-(4-octylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4-octylpiperidin-1-yl)butan-1-ol
PubChem CID71395098
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-(4-octylpiperidin-1-yl)butan-1-ol
SMILESCCCCCCCCC1CCN(CCCCO)CC1
InChIInChI=1S/C17H35NO/c1-2-3-4-5-6-7-10-17-11-14-18(15-12-17)13-8-9-16-19/h17,19H,2-16H2,1H3
InChIKeySHMOGEFBIOWVQZ-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
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 4-(4-octylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 4-(4-octylpiperidin-1-yl)butan-1-ol (CID 71395098) is 4-(4-octylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(4-octylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 4-(4-octylpiperidin-1-yl)butan-1-ol is CCCCCCCCC1CCN(CCCCO)CC1.
What is the InChIKey of 4-(4-octylpiperidin-1-yl)butan-1-ol?
The InChIKey is SHMOGEFBIOWVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-2-3-4-5-6-7-10-17-11-14-18(15-12-17)13-8-9-16-19/h17,19H,2-16H2,1H3.
What are the key properties of 4-(4-octylpiperidin-1-yl)butan-1-ol?
4-(4-octylpiperidin-1-yl)butan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-octylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 71395098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).