1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol

C15H29NO — CID 107011014

IUPAC1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol
SMILESC=CCCCCCN1CCCCC1CC(C)O
InChIInChI=1S/C15H29NO/c1-3-4-5-6-8-11-16-12-9-7-10-15(16)13-14(2)17/h3,14-15,17H,1,4-13H2,2H3
InChIKeyDMNGGYJYPZFLTO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds8

About 1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol

1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol (PubChem CID 107011014) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol
PubChem CID107011014
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol
SMILESC=CCCCCCN1CCCCC1CC(C)O
InChIInChI=1S/C15H29NO/c1-3-4-5-6-8-11-16-12-9-7-10-15(16)13-14(2)17/h3,14-15,17H,1,4-13H2,2H3
InChIKeyDMNGGYJYPZFLTO-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
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

(Z,2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol
CID 162644673
SK3 Channel-IN-1
CID 162663884
(Z,2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol
CID 162672857
(2R,3S,4S,5R)-1-octyl-2-prop-2-enylpiperidine-3,4,5-triol
CID 118725589
(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadecan-2-ol
CID 162645797
(2S)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]henicosan-2-ol
CID 162648428
(2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]henicosan-2-ol
CID 162677238
(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 10682466
(2S)-1-[(2S,6R)-6-[(2S)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 162998608
(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 139195361
1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 85231280
4-((3R,5R,8aR)-5-(Pent-4-en-1-yl)octahydroindolizin-3-yl)butan-2-ol
CID 91731710

Frequently Asked Questions

What is the IUPAC name of 1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol (CID 107011014) is 1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol is C=CCCCCCN1CCCCC1CC(C)O.
What is the InChIKey of 1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol?
The InChIKey is DMNGGYJYPZFLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-4-5-6-8-11-16-12-9-7-10-15(16)13-14(2)17/h3,14-15,17H,1,4-13H2,2H3.
What are the key properties of 1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol?
1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hept-6-enylpiperidin-2-yl)propan-2-ol is sourced from PubChem (CID 107011014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).