4-methylpiperidin-4-ol;(E)-non-4-ene

C15H31NO — CID 170590699

IUPAC4-methylpiperidin-4-ol;(E)-non-4-ene
SMILESCC1(O)CCNCC1.CCC/C=C/CCCC
InChIInChI=1S/C9H18.C6H13NO/c1-3-5-7-9-8-6-4-2;1-6(8)2-4-7-5-3-6/h7,9H,3-6,8H2,1-2H3;7-8H,2-5H2,1H3/b9-7+;
InChIKeyFCMSJHIPIKOUML-BXTVWIJMSA-N
MW241.42 g/mol
LogP3.65
Rot. Bonds5

About 4-methylpiperidin-4-ol;(E)-non-4-ene

4-methylpiperidin-4-ol;(E)-non-4-ene (PubChem CID 170590699) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-methylpiperidin-4-ol;(E)-non-4-ene.

Molecular Properties

Compound Name4-methylpiperidin-4-ol;(E)-non-4-ene
PubChem CID170590699
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-methylpiperidin-4-ol;(E)-non-4-ene
SMILESCC1(O)CCNCC1.CCC/C=C/CCCC
InChIInChI=1S/C9H18.C6H13NO/c1-3-5-7-9-8-6-4-2;1-6(8)2-4-7-5-3-6/h7,9H,3-6,8H2,1-2H3;7-8H,2-5H2,1H3/b9-7+;
InChIKeyFCMSJHIPIKOUML-BXTVWIJMSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol
CID 90418895
4-[(E)-4,4,4-trifluorobut-2-enyl]piperidin-4-ol
CID 90419023
(E)-4-(4,4,4-trifluorobut-1-enyl)piperidin-4-ol
CID 90447571
4-(4,4,4-Trifluorobut-1-enyl)piperidin-4-ol
CID 123163432
4-(3,3-Difluoroprop-1-enyl)piperidin-4-ol
CID 123968088
4-(Prop-2-en-1-yl)piperidin-4-ol
CID 1504802
(3S,5R)-4-cyclohexa-2,4-dien-1-yl-3,5-dimethylpiperidin-4-ol
CID 68311904
1-Piperidin-4-ylhexa-2,5-dien-2-ol
CID 70138953
(E)-1-piperidin-4-ylprop-1-en-1-ol
CID 89733768
4-[(E)-but-1-enyl]piperidin-4-ol
CID 117613586
4-Penta-2,4-dien-2-ylpiperidin-4-ol
CID 123191311
4-But-3-enylpiperidin-4-ol
CID 123326470

Frequently Asked Questions

What is the IUPAC name of 4-methylpiperidin-4-ol;(E)-non-4-ene?
The IUPAC name of 4-methylpiperidin-4-ol;(E)-non-4-ene (CID 170590699) is 4-methylpiperidin-4-ol;(E)-non-4-ene.
What is the SMILES notation for 4-methylpiperidin-4-ol;(E)-non-4-ene?
The canonical SMILES for 4-methylpiperidin-4-ol;(E)-non-4-ene is CC1(O)CCNCC1.CCC/C=C/CCCC.
What is the InChIKey of 4-methylpiperidin-4-ol;(E)-non-4-ene?
The InChIKey is FCMSJHIPIKOUML-BXTVWIJMSA-N. The full InChI is InChI=1S/C9H18.C6H13NO/c1-3-5-7-9-8-6-4-2;1-6(8)2-4-7-5-3-6/h7,9H,3-6,8H2,1-2H3;7-8H,2-5H2,1H3/b9-7+;.
What are the key properties of 4-methylpiperidin-4-ol;(E)-non-4-ene?
4-methylpiperidin-4-ol;(E)-non-4-ene has a molecular weight of 241.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidin-4-ol;(E)-non-4-ene is sourced from PubChem (CID 170590699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).