4-hept-6-enoxypiperidine

C12H23NO — CID 107007702

IUPAC4-hept-6-enoxypiperidine
SMILESC=CCCCCCOC1CCNCC1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-11-14-12-7-9-13-10-8-12/h2,12-13H,1,3-11H2
InChIKeyNQDSCTZXMGGMDA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About 4-hept-6-enoxypiperidine

4-hept-6-enoxypiperidine (PubChem CID 107007702) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-hept-6-enoxypiperidine.

Molecular Properties

Compound Name4-hept-6-enoxypiperidine
PubChem CID107007702
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-hept-6-enoxypiperidine
SMILESC=CCCCCCOC1CCNCC1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-11-14-12-7-9-13-10-8-12/h2,12-13H,1,3-11H2
InChIKeyNQDSCTZXMGGMDA-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
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

4-But-3-enoxypiperidine
CID 18337193
6-piperidin-4-yloxy-N,N-bis(prop-2-enyl)hexan-1-amine
CID 22279339
N-Methyl-6-[(piperidin-4-yl)oxy]-N-(prop-2-en-1-yl)hexan-1-amine
CID 22279367
4-(Pent-4-en-1-yloxy)piperidine
CID 53409914
N-(oxan-2-ylmethyl)but-3-en-1-amine
CID 64313742
2-Pent-4-enylmorpholine
CID 66612518
4-But-3-enyl-4-(3-methylbutan-2-yloxy)piperidine
CID 91487037
2-(2-Methylidenepent-4-enyl)morpholine
CID 118117904
1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine
CID 141050421
N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine
CID 141050441
4-[(4Z)-4-ethenylhepta-4,6-dienoxy]piperidine
CID 142824770
3-But-3-enyl-4-methoxypiperidine
CID 175499377

Frequently Asked Questions

What is the IUPAC name of 4-hept-6-enoxypiperidine?
The IUPAC name of 4-hept-6-enoxypiperidine (CID 107007702) is 4-hept-6-enoxypiperidine.
What is the SMILES notation for 4-hept-6-enoxypiperidine?
The canonical SMILES for 4-hept-6-enoxypiperidine is C=CCCCCCOC1CCNCC1.
What is the InChIKey of 4-hept-6-enoxypiperidine?
The InChIKey is NQDSCTZXMGGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-6-11-14-12-7-9-13-10-8-12/h2,12-13H,1,3-11H2.
What are the key properties of 4-hept-6-enoxypiperidine?
4-hept-6-enoxypiperidine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-6-enoxypiperidine is sourced from PubChem (CID 107007702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).