1-propan-2-yl-4-prop-2-enylpiperidin-3-ol

C11H21NO — CID 177338742

IUPAC1-propan-2-yl-4-prop-2-enylpiperidin-3-ol
SMILESC=CCC1CCN(C(C)C)CC1O
InChIInChI=1S/C11H21NO/c1-4-5-10-6-7-12(9(2)3)8-11(10)13/h4,9-11,13H,1,5-8H2,2-3H3
InChIKeyKEDUIAKEPVQHIF-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.65
Rot. Bonds3

About 1-propan-2-yl-4-prop-2-enylpiperidin-3-ol

1-propan-2-yl-4-prop-2-enylpiperidin-3-ol (PubChem CID 177338742) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-propan-2-yl-4-prop-2-enylpiperidin-3-ol.

Molecular Properties

Compound Name1-propan-2-yl-4-prop-2-enylpiperidin-3-ol
PubChem CID177338742
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-propan-2-yl-4-prop-2-enylpiperidin-3-ol
SMILESC=CCC1CCN(C(C)C)CC1O
InChIInChI=1S/C11H21NO/c1-4-5-10-6-7-12(9(2)3)8-11(10)13/h4,9-11,13H,1,5-8H2,2-3H3
InChIKeyKEDUIAKEPVQHIF-UHFFFAOYSA-N
XLogP1.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.65
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-(3-Cyclohexen-1-ylmethyl)-3-piperidinol
CID 2845911
2,2,2-Trifluoro-1-(1-hept-6-en-2-ylpiperidin-4-yl)ethanol
CID 109967149
2,2,2-Trifluoro-1-(1-pent-4-enylpiperidin-4-yl)ethanol
CID 112327040
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]hex-5-en-2-ol
CID 112327089
4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-1-methylpiperidin-3-ol
CID 20696713
1-[Di(propan-2-yl)amino]hex-5-en-2-ol
CID 22975448
1-Methyl-3-prop-2-enylpiperidin-4-ol
CID 59827004
actinium;4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-1-(114C)methylpiperidin-3-ol
CID 59971187
4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-1-(114C)methylpiperidin-3-ol
CID 59971188
actinium;4-[(E)-1-hydroxy-3-(123I)iodoprop-2-enyl]-1-methylpiperidin-3-ol
CID 59971189
actinium;4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-1-(114C)methylpiperidin-3-ol
CID 59971192
(1-But-3-en-2-ylpiperidin-4-yl)methanol
CID 61517704

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-prop-2-enylpiperidin-3-ol?
The IUPAC name of 1-propan-2-yl-4-prop-2-enylpiperidin-3-ol (CID 177338742) is 1-propan-2-yl-4-prop-2-enylpiperidin-3-ol.
What is the SMILES notation for 1-propan-2-yl-4-prop-2-enylpiperidin-3-ol?
The canonical SMILES for 1-propan-2-yl-4-prop-2-enylpiperidin-3-ol is C=CCC1CCN(C(C)C)CC1O.
What is the InChIKey of 1-propan-2-yl-4-prop-2-enylpiperidin-3-ol?
The InChIKey is KEDUIAKEPVQHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-10-6-7-12(9(2)3)8-11(10)13/h4,9-11,13H,1,5-8H2,2-3H3.
What are the key properties of 1-propan-2-yl-4-prop-2-enylpiperidin-3-ol?
1-propan-2-yl-4-prop-2-enylpiperidin-3-ol has a molecular weight of 183.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-prop-2-enylpiperidin-3-ol is sourced from PubChem (CID 177338742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).