3-piperidin-4-ylbutan-2-ol

C9H19NO — CID 154192279

IUPAC3-piperidin-4-ylbutan-2-ol
SMILESCC(O)C(C)C1CCNCC1
InChIInChI=1S/C9H19NO/c1-7(8(2)11)9-3-5-10-6-4-9/h7-11H,3-6H2,1-2H3
InChIKeyYFZVQQLNHUKGTD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds2

About 3-piperidin-4-ylbutan-2-ol

3-piperidin-4-ylbutan-2-ol (PubChem CID 154192279) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-piperidin-4-ylbutan-2-ol.

Molecular Properties

Compound Name3-piperidin-4-ylbutan-2-ol
PubChem CID154192279
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-piperidin-4-ylbutan-2-ol
SMILESCC(O)C(C)C1CCNCC1
InChIInChI=1S/C9H19NO/c1-7(8(2)11)9-3-5-10-6-4-9/h7-11H,3-6H2,1-2H3
InChIKeyYFZVQQLNHUKGTD-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Piperidinepropanol
CID 81497
1-(Piperidin-3-yl)ethan-1-ol
CID 225570
3-(Piperidin-4-yl)propan-1-ol hydrochloride
CID 18425720
7-Azaspiro(3.5)nonan-2-ol
CID 11171026
2-(3-Methylpiperidin-4-yl)ethan-1-ol
CID 13419581
2-Methyl-2-(piperidin-4-yl)propan-1-ol
CID 13478140
2-Methyl-1-(piperidin-4-yl)propan-2-ol
CID 18423428
(5-Methylpiperidin-3-yl)methanol
CID 19019558
2-(Piperidin-4-yl)ethanol hydrochloride
CID 19773564
1-(1-Propylpiperidin-3-yl)ethan-1-ol
CID 21317077
(4-Methylpiperidin-3-yl)methanol
CID 21825419
2-(Piperidin-4-yl)propan-1-ol
CID 22928829

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylbutan-2-ol?
The IUPAC name of 3-piperidin-4-ylbutan-2-ol (CID 154192279) is 3-piperidin-4-ylbutan-2-ol.
What is the SMILES notation for 3-piperidin-4-ylbutan-2-ol?
The canonical SMILES for 3-piperidin-4-ylbutan-2-ol is CC(O)C(C)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-ylbutan-2-ol?
The InChIKey is YFZVQQLNHUKGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(8(2)11)9-3-5-10-6-4-9/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-piperidin-4-ylbutan-2-ol?
3-piperidin-4-ylbutan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylbutan-2-ol is sourced from PubChem (CID 154192279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).