3-but-3-enylpiperidin-3-ol

C9H17NO — CID 130835884

IUPAC3-but-3-enylpiperidin-3-ol
SMILESC=CCCC1(O)CCCNC1
InChIInChI=1S/C9H17NO/c1-2-3-5-9(11)6-4-7-10-8-9/h2,10-11H,1,3-8H2
InChIKeyMXPGNTAZIDKFFX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds3

About 3-but-3-enylpiperidin-3-ol

3-but-3-enylpiperidin-3-ol (PubChem CID 130835884) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-but-3-enylpiperidin-3-ol.

Molecular Properties

Compound Name3-but-3-enylpiperidin-3-ol
PubChem CID130835884
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-but-3-enylpiperidin-3-ol
SMILESC=CCCC1(O)CCCNC1
InChIInChI=1S/C9H17NO/c1-2-3-5-9(11)6-4-7-10-8-9/h2,10-11H,1,3-8H2
InChIKeyMXPGNTAZIDKFFX-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-But-3-enylpiperidin-3-ol;2,2,2-trifluoroacetic acid
CID 176040149
4-But-3-enylpiperidin-4-ol
CID 123326470
(3R)-3-methyl-6-prop-2-enylpiperidin-3-ol
CID 176175214
(3S)-3-prop-2-enylpiperidin-3-ol
CID 177330119
(3R,6R)-6-ethenyl-3-methylpiperidin-3-ol
CID 178106236
4-Piperidin-2-ylhepta-1,6-dien-4-ol
CID 23007806
1-[(Pent-4-enylamino)methyl]cyclohexan-1-ol
CID 65108686
1-[(But-3-enylamino)methyl]cyclohexan-1-ol
CID 65109118
1-[(Pent-4-enylamino)methyl]cyclopentan-1-ol
CID 65111065
1-[(But-3-enylamino)methyl]cyclopentan-1-ol
CID 65111685
3-Ethenylpiperidin-3-ol
CID 65416047
1-(Cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66180745

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enylpiperidin-3-ol?
The IUPAC name of 3-but-3-enylpiperidin-3-ol (CID 130835884) is 3-but-3-enylpiperidin-3-ol.
What is the SMILES notation for 3-but-3-enylpiperidin-3-ol?
The canonical SMILES for 3-but-3-enylpiperidin-3-ol is C=CCCC1(O)CCCNC1.
What is the InChIKey of 3-but-3-enylpiperidin-3-ol?
The InChIKey is MXPGNTAZIDKFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-5-9(11)6-4-7-10-8-9/h2,10-11H,1,3-8H2.
What are the key properties of 3-but-3-enylpiperidin-3-ol?
3-but-3-enylpiperidin-3-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enylpiperidin-3-ol is sourced from PubChem (CID 130835884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).