(2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol

C15H29NO — CID 10800039

IUPAC(2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol
SMILESCCCCCCC/C=C/[C@@H]1C[C@@H](O)C[C@H](C)N1
InChIInChI=1S/C15H29NO/c1-3-4-5-6-7-8-9-10-14-12-15(17)11-13(2)16-14/h9-10,13-17H,3-8,11-12H2,1-2H3/b10-9+/t13-,14+,15-/m0/s1
InChIKeyHDXILYDRWDVSHB-BNWICZARSA-N
MW239.40 g/mol
LogP3.40
Rot. Bonds7

About (2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol

(2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol (PubChem CID 10800039) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol
PubChem CID10800039
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol
SMILESCCCCCCC/C=C/[C@@H]1C[C@@H](O)C[C@H](C)N1
InChIInChI=1S/C15H29NO/c1-3-4-5-6-7-8-9-10-14-12-15(17)11-13(2)16-14/h9-10,13-17H,3-8,11-12H2,1-2H3/b10-9+/t13-,14+,15-/m0/s1
InChIKeyHDXILYDRWDVSHB-BNWICZARSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol?
The IUPAC name of (2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol (CID 10800039) is (2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol.
What is the SMILES notation for (2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol?
The canonical SMILES for (2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol is CCCCCCC/C=C/[C@@H]1C[C@@H](O)C[C@H](C)N1.
What is the InChIKey of (2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol?
The InChIKey is HDXILYDRWDVSHB-BNWICZARSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-4-5-6-7-8-9-10-14-12-15(17)11-13(2)16-14/h9-10,13-17H,3-8,11-12H2,1-2H3/b10-9+/t13-,14+,15-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol?
(2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol has a molecular weight of 239.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methyl-6-[(E)-non-1-enyl]piperidin-4-ol is sourced from PubChem (CID 10800039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).