3-piperidin-4-ylcyclobutan-1-ol;hydrochloride

C9H18ClNO — CID 165468095

IUPAC3-piperidin-4-ylcyclobutan-1-ol;hydrochloride
SMILESCl.OC1CC(C2CCNCC2)C1
InChIInChI=1S/C9H17NO.ClH/c11-9-5-8(6-9)7-1-3-10-4-2-7;/h7-11H,1-6H2;1H
InChIKeyLBGOCVBAVDJVFD-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.18
Rot. Bonds1

About 3-piperidin-4-ylcyclobutan-1-ol;hydrochloride

3-piperidin-4-ylcyclobutan-1-ol;hydrochloride (PubChem CID 165468095) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 3-piperidin-4-ylcyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-ylcyclobutan-1-ol;hydrochloride
PubChem CID165468095
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name3-piperidin-4-ylcyclobutan-1-ol;hydrochloride
SMILESCl.OC1CC(C2CCNCC2)C1
InChIInChI=1S/C9H17NO.ClH/c11-9-5-8(6-9)7-1-3-10-4-2-7;/h7-11H,1-6H2;1H
InChIKeyLBGOCVBAVDJVFD-UHFFFAOYSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylcyclobutan-1-ol;hydrochloride?
The IUPAC name of 3-piperidin-4-ylcyclobutan-1-ol;hydrochloride (CID 165468095) is 3-piperidin-4-ylcyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-piperidin-4-ylcyclobutan-1-ol;hydrochloride?
The canonical SMILES for 3-piperidin-4-ylcyclobutan-1-ol;hydrochloride is Cl.OC1CC(C2CCNCC2)C1.
What is the InChIKey of 3-piperidin-4-ylcyclobutan-1-ol;hydrochloride?
The InChIKey is LBGOCVBAVDJVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c11-9-5-8(6-9)7-1-3-10-4-2-7;/h7-11H,1-6H2;1H.
What are the key properties of 3-piperidin-4-ylcyclobutan-1-ol;hydrochloride?
3-piperidin-4-ylcyclobutan-1-ol;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylcyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 165468095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).