4-piperidin-4-ylbutan-1-ol;hydrochloride

C9H20ClNO — CID 2784667

IUPAC4-piperidin-4-ylbutan-1-ol;hydrochloride
SMILESCl.OCCCCC1CCNCC1
InChIInChI=1S/C9H19NO.ClH/c11-8-2-1-3-9-4-6-10-7-5-9;/h9-11H,1-8H2;1H
InChIKeyVZKFZHMCAPEJSE-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.57
Rot. Bonds4

About 4-piperidin-4-ylbutan-1-ol;hydrochloride

4-piperidin-4-ylbutan-1-ol;hydrochloride (PubChem CID 2784667) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 4-piperidin-4-ylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-piperidin-4-ylbutan-1-ol;hydrochloride
PubChem CID2784667
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name4-piperidin-4-ylbutan-1-ol;hydrochloride
SMILESCl.OCCCCC1CCNCC1
InChIInChI=1S/C9H19NO.ClH/c11-8-2-1-3-9-4-6-10-7-5-9;/h9-11H,1-8H2;1H
InChIKeyVZKFZHMCAPEJSE-UHFFFAOYSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Piperidinepropanol
CID 81497
3-(Piperidin-4-yl)propan-1-ol hydrochloride
CID 18425720
trans-(4-Methylaminomethyl-cyclohexyl)-methanol
CID 22236270
2-(Piperidin-3-yl)ethan-1-ol hydrochloride
CID 50988804
2-[(3S)-piperidin-3-yl]ethan-1-ol hydrochloride
CID 137364351
{7-Azaspiro[3.5]nonan-2-yl}methanol hydrochloride
CID 138106296
3-(3-Methylpiperidin-2-yl)propan-1-ol;hydrochloride
CID 90668992
3-Piperidineethanol
CID 2762716
2-(Piperidin-2-yl)propan-1-ol
CID 55286054
{4-Azaspiro[2.5]octan-7-yl}methanol hydrochloride
CID 138987609
(2,2-Dimethylpiperidin-4-yl)methanol hydrochloride
CID 139026835
3-(Piperidin-4-yl)cyclobutan-1-ol hydrochloride
CID 165468095

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylbutan-1-ol;hydrochloride?
The IUPAC name of 4-piperidin-4-ylbutan-1-ol;hydrochloride (CID 2784667) is 4-piperidin-4-ylbutan-1-ol;hydrochloride.
What is the SMILES notation for 4-piperidin-4-ylbutan-1-ol;hydrochloride?
The canonical SMILES for 4-piperidin-4-ylbutan-1-ol;hydrochloride is Cl.OCCCCC1CCNCC1.
What is the InChIKey of 4-piperidin-4-ylbutan-1-ol;hydrochloride?
The InChIKey is VZKFZHMCAPEJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c11-8-2-1-3-9-4-6-10-7-5-9;/h9-11H,1-8H2;1H.
What are the key properties of 4-piperidin-4-ylbutan-1-ol;hydrochloride?
4-piperidin-4-ylbutan-1-ol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylbutan-1-ol;hydrochloride is sourced from PubChem (CID 2784667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).