(3S)-3-hept-6-enoxypiperidine

C12H23NO — CID 107007733

IUPAC(3S)-3-hept-6-enoxypiperidine
SMILESC=CCCCCCO[C@H]1CCCNC1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-10-14-12-8-7-9-13-11-12/h2,12-13H,1,3-11H2/t12-/m0/s1
InChIKeyVSCFYTJOCKKLLD-LBPRGKRZSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About (3S)-3-hept-6-enoxypiperidine

(3S)-3-hept-6-enoxypiperidine (PubChem CID 107007733) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3S)-3-hept-6-enoxypiperidine.

Molecular Properties

Compound Name(3S)-3-hept-6-enoxypiperidine
PubChem CID107007733
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3S)-3-hept-6-enoxypiperidine
SMILESC=CCCCCCO[C@H]1CCCNC1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-10-14-12-8-7-9-13-11-12/h2,12-13H,1,3-11H2/t12-/m0/s1
InChIKeyVSCFYTJOCKKLLD-LBPRGKRZSA-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

3-hept-6-enoxy-4-methylpiperidine
CID 107007754
(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
2-piperidin-3-yloxyethanol
CID 43197065
3-(2-butoxyethoxy)piperidine
CID 55151121
3-(16-phenylmethoxyhexadecoxy)piperidine
CID 177224611
1-piperidin-3-yloct-7-en-1-one
CID 107010785
ethyl 6-piperidin-3-yloxyhexanoate
CID 106939322
N-hept-6-enyl-N-propylpiperidin-3-amine
CID 107008007
(3S)-3-prop-2-enoxypyrrolidine
CID 26191822
6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine
CID 146427989
2-methyl-4-piperidin-3-yloxybutan-2-ol
CID 79355379
4-(hept-6-enoxymethyl)piperidine
CID 107007705

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hept-6-enoxypiperidine?
The IUPAC name of (3S)-3-hept-6-enoxypiperidine (CID 107007733) is (3S)-3-hept-6-enoxypiperidine.
What is the SMILES notation for (3S)-3-hept-6-enoxypiperidine?
The canonical SMILES for (3S)-3-hept-6-enoxypiperidine is C=CCCCCCO[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-hept-6-enoxypiperidine?
The InChIKey is VSCFYTJOCKKLLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-6-10-14-12-8-7-9-13-11-12/h2,12-13H,1,3-11H2/t12-/m0/s1.
What are the key properties of (3S)-3-hept-6-enoxypiperidine?
(3S)-3-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 (3S)-3-hept-6-enoxypiperidine is sourced from PubChem (CID 107007733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).