1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol

C12H23NO — CID 114338131

IUPAC1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol
SMILESC/C=C/CN1CCCCC1CC(C)O
InChIInChI=1S/C12H23NO/c1-3-4-8-13-9-6-5-7-12(13)10-11(2)14/h3-4,11-12,14H,5-10H2,1-2H3/b4-3+
InChIKeyQMUGCKSGVQKVCX-ONEGZZNKSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds4

About 1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol

1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol (PubChem CID 114338131) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol
PubChem CID114338131
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol
SMILESC/C=C/CN1CCCCC1CC(C)O
InChIInChI=1S/C12H23NO/c1-3-4-8-13-9-6-5-7-12(13)10-11(2)14/h3-4,11-12,14H,5-10H2,1-2H3/b4-3+
InChIKeyQMUGCKSGVQKVCX-ONEGZZNKSA-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

1-(1-Methylpiperidin-2-yl)propan-2-ol
CID 11972082
8-Allyl-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane
CID 16193543
(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)-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
(-)-N-Methylsedridine
CID 15226582
(+)-N-Methylallosedridine
CID 10888171
3-Hydroxy-8-methyl-8-(prop-2-en-1-yl)-8-azoniabicyclo[3.2.1]octane
CID 5003946
1-(2-Butenyl)-2,5-dimethyl-4-piperidinol
CID 129810803

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol (CID 114338131) is 1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol is C/C=C/CN1CCCCC1CC(C)O.
What is the InChIKey of 1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol?
The InChIKey is QMUGCKSGVQKVCX-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-8-13-9-6-5-7-12(13)10-11(2)14/h3-4,11-12,14H,5-10H2,1-2H3/b4-3+.
What are the key properties of 1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol?
1-[1-[(E)-but-2-enyl]piperidin-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-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).