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

C17H36ClNO — CID 71395097

IUPAC4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
SMILESCCCCCCCCC1CCN(CCCCO)CC1.Cl
InChIInChI=1S/C17H35NO.ClH/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;1H
InChIKeyMRWHDVYWPOVHQN-UHFFFAOYSA-N
MW305.93 g/mol
LogP4.64
Rot. Bonds11

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

4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride (PubChem CID 71395097) has the molecular formula C17H36ClNO and a molecular weight of 305.93 g/mol. Its IUPAC name is 4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
PubChem CID71395097
Molecular FormulaC17H36ClNO
Molecular Weight305.93 g/mol
Exact Mass305.25
IUPAC Name4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
SMILESCCCCCCCCC1CCN(CCCCO)CC1.Cl
InChIInChI=1S/C17H35NO.ClH/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;1H
InChIKeyMRWHDVYWPOVHQN-UHFFFAOYSA-N
XLogP4.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.93
LogP ≤ 54.64
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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Related Compounds

5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
2-(4-nonylpiperidin-1-yl)ethanol;hydrochloride
CID 71395103
4-butyl-1-octylpiperidine
CID 171570418
4-butyl-1-heptylpiperidine;formonitrile
CID 175849547
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
4-butyl-1-hexylpiperidine;methanesulfonic acid
CID 175583852
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785

Frequently Asked Questions

What is the IUPAC name of 4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride?
The IUPAC name of 4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride (CID 71395097) is 4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride.
What is the SMILES notation for 4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride?
The canonical SMILES for 4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride is CCCCCCCCC1CCN(CCCCO)CC1.Cl.
What is the InChIKey of 4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride?
The InChIKey is MRWHDVYWPOVHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.ClH/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;1H.
What are the key properties of 4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride?
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride has a molecular weight of 305.93 g/mol, XLogP of 4.64, 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;hydrochloride is sourced from PubChem (CID 71395097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).