4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine

C15H29NO — CID 156519003

IUPAC4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine
SMILESCC[C@H](C)O[C@H](C)C/C=C/CC1CCNCC1
InChIInChI=1S/C15H29NO/c1-4-13(2)17-14(3)7-5-6-8-15-9-11-16-12-10-15/h5-6,13-16H,4,7-12H2,1-3H3/b6-5+/t13-,14+/m0/s1
InChIKeyBAALWZCNCSXYLZ-BUHQSOCUSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds7

About 4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine

4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine (PubChem CID 156519003) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine.

Molecular Properties

Compound Name4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine
PubChem CID156519003
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine
SMILESCC[C@H](C)O[C@H](C)C/C=C/CC1CCNCC1
InChIInChI=1S/C15H29NO/c1-4-13(2)17-14(3)7-5-6-8-15-9-11-16-12-10-15/h5-6,13-16H,4,7-12H2,1-3H3/b6-5+/t13-,14+/m0/s1
InChIKeyBAALWZCNCSXYLZ-BUHQSOCUSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine?
The IUPAC name of 4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine (CID 156519003) is 4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine.
What is the SMILES notation for 4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine?
The canonical SMILES for 4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine is CC[C@H](C)O[C@H](C)C/C=C/CC1CCNCC1.
What is the InChIKey of 4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine?
The InChIKey is BAALWZCNCSXYLZ-BUHQSOCUSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-13(2)17-14(3)7-5-6-8-15-9-11-16-12-10-15/h5-6,13-16H,4,7-12H2,1-3H3/b6-5+/t13-,14+/m0/s1.
What are the key properties of 4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine?
4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,5R)-5-[(2S)-butan-2-yl]oxyhex-2-enyl]piperidine is sourced from PubChem (CID 156519003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).