3-(2-methylidenebutyl)piperidin-4-ol

C10H19NO — CID 114451860

IUPAC3-(2-methylidenebutyl)piperidin-4-ol
SMILESC=C(CC)CC1CNCCC1O
InChIInChI=1S/C10H19NO/c1-3-8(2)6-9-7-11-5-4-10(9)12/h9-12H,2-7H2,1H3
InChIKeyQMLFZAOFWMTHGI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds3

About 3-(2-methylidenebutyl)piperidin-4-ol

3-(2-methylidenebutyl)piperidin-4-ol (PubChem CID 114451860) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2-methylidenebutyl)piperidin-4-ol.

Molecular Properties

Compound Name3-(2-methylidenebutyl)piperidin-4-ol
PubChem CID114451860
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(2-methylidenebutyl)piperidin-4-ol
SMILESC=C(CC)CC1CNCCC1O
InChIInChI=1S/C10H19NO/c1-3-8(2)6-9-7-11-5-4-10(9)12/h9-12H,2-7H2,1H3
InChIKeyQMLFZAOFWMTHGI-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.31
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-Fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol
CID 175499380
3-But-3-enyl-3-fluoropiperidin-4-ol
CID 175499396
3-Butylpiperidin-4-ol
CID 45083227
3-Prop-2-enylpiperidin-4-ol
CID 55300262
2-Methyl-1-piperidin-3-ylprop-2-en-1-ol
CID 80559018
1-Piperidin-3-ylbut-3-en-1-ol
CID 80560183
3-But-3-enylpiperidin-4-ol
CID 114451881
3-Piperidin-4-ylbut-3-en-1-ol
CID 117268286
5-Piperidin-4-ylpent-1-en-3-ol
CID 118964334
1-Ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
CID 123603830
1-[(1R)-cyclohex-2-en-1-yl]-3-(methylamino)propan-1-ol
CID 141795329
(3S)-2,3-bis(ethenyl)-6-methylpiperidin-4-ol
CID 141979418

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidenebutyl)piperidin-4-ol?
The IUPAC name of 3-(2-methylidenebutyl)piperidin-4-ol (CID 114451860) is 3-(2-methylidenebutyl)piperidin-4-ol.
What is the SMILES notation for 3-(2-methylidenebutyl)piperidin-4-ol?
The canonical SMILES for 3-(2-methylidenebutyl)piperidin-4-ol is C=C(CC)CC1CNCCC1O.
What is the InChIKey of 3-(2-methylidenebutyl)piperidin-4-ol?
The InChIKey is QMLFZAOFWMTHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-8(2)6-9-7-11-5-4-10(9)12/h9-12H,2-7H2,1H3.
What are the key properties of 3-(2-methylidenebutyl)piperidin-4-ol?
3-(2-methylidenebutyl)piperidin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenebutyl)piperidin-4-ol is sourced from PubChem (CID 114451860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).