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

C11H21NO — CID 5200463

IUPAC1-propan-2-yl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)CCN(C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-4-5-11(13)6-8-12(9-7-11)10(2)3/h4,10,13H,1,5-9H2,2-3H3
InChIKeyVPVFGAXXDWSHEG-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds3

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

1-propan-2-yl-4-prop-2-enylpiperidin-4-ol (PubChem CID 5200463) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-propan-2-yl-4-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name1-propan-2-yl-4-prop-2-enylpiperidin-4-ol
PubChem CID5200463
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-propan-2-yl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)CCN(C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-4-5-11(13)6-8-12(9-7-11)10(2)3/h4,10,13H,1,5-9H2,2-3H3
InChIKeyVPVFGAXXDWSHEG-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
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-Methyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 1506157
1-Methyl-4-vinylpiperidin-4-ol
CID 10374544
1,2,5-Trimethyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 4912825
(Z)-2-methyl-3-piperidin-1-ylhex-4-en-2-ol
CID 164669056
1-Methyl-4-(pent-4-en-1-yl)piperidin-4-ol
CID 167993486
(2R,3S)-3-methyl-2-(piperidin-1-yl)hex-5-en-3-ol
CID 178185652
1-Hept-6-en-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 109967366
1,3-Dimethyl-4-prop-2-enylpiperidin-4-ol
CID 4917707
1,1-Dimethyl-4-prop-2-enylpiperidin-1-ium-4-ol bromide
CID 24191827
1-Ethyl-4-(2-methylprop-2-enyl)piperidin-4-ol
CID 819660
1-Methyl-4-(2-methyl-2-propen-1-yl)-4-piperidinol
CID 5200278
1-Phosphanyl-4-prop-2-enylpiperidin-4-ol
CID 18686317

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-prop-2-enylpiperidin-4-ol?
The IUPAC name of 1-propan-2-yl-4-prop-2-enylpiperidin-4-ol (CID 5200463) is 1-propan-2-yl-4-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 1-propan-2-yl-4-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 1-propan-2-yl-4-prop-2-enylpiperidin-4-ol is C=CCC1(O)CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-prop-2-enylpiperidin-4-ol?
The InChIKey is VPVFGAXXDWSHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-11(13)6-8-12(9-7-11)10(2)3/h4,10,13H,1,5-9H2,2-3H3.
What are the key properties of 1-propan-2-yl-4-prop-2-enylpiperidin-4-ol?
1-propan-2-yl-4-prop-2-enylpiperidin-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 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-4-ol is sourced from PubChem (CID 5200463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).