1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol

C12H23NO — CID 114338080

IUPAC1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol
SMILESC=CC(C)N1CCCCC1CC(C)O
InChIInChI=1S/C12H23NO/c1-4-10(2)13-8-6-5-7-12(13)9-11(3)14/h4,10-12,14H,1,5-9H2,2-3H3
InChIKeyPNAMIYVJOUGDNJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds4

About 1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol

1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol (PubChem CID 114338080) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol
PubChem CID114338080
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol
SMILESC=CC(C)N1CCCCC1CC(C)O
InChIInChI=1S/C12H23NO/c1-4-10(2)13-8-6-5-7-12(13)9-11(3)14/h4,10-12,14H,1,5-9H2,2-3H3
InChIKeyPNAMIYVJOUGDNJ-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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SK3 Channel-IN-1
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(Z,2R)-1-[(6R)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]nonadec-10-en-2-ol
CID 162672857
(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
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(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
3-Hydroxy-8-methyl-8-(prop-2-en-1-yl)-8-azoniabicyclo[3.2.1]octane
CID 5003946
1-[6-(2-hydroxybutyl)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
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2-Methyl-1-prop-2-enylpiperidin-4-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol (CID 114338080) is 1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol is C=CC(C)N1CCCCC1CC(C)O.
What is the InChIKey of 1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol?
The InChIKey is PNAMIYVJOUGDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(2)13-8-6-5-7-12(13)9-11(3)14/h4,10-12,14H,1,5-9H2,2-3H3.
What are the key properties of 1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol?
1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-3-en-2-ylpiperidin-2-yl)propan-2-ol is sourced from PubChem (CID 114338080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).