(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol

C11H21NO — CID 70596071

IUPAC(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCC(C)=CC[C@H]1CN(C)CC[C@H]1O
InChIInChI=1S/C11H21NO/c1-9(2)4-5-10-8-12(3)7-6-11(10)13/h4,10-11,13H,5-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyYSDKNWFDPBUBJT-WDEREUQCSA-N
MW183.30 g/mol
LogP1.66
Rot. Bonds2

About (3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol

(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol (PubChem CID 70596071) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
PubChem CID70596071
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCC(C)=CC[C@H]1CN(C)CC[C@H]1O
InChIInChI=1S/C11H21NO/c1-9(2)4-5-10-8-12(3)7-6-11(10)13/h4,10-11,13H,5-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyYSDKNWFDPBUBJT-WDEREUQCSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.66
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-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-4-piperidinol
CID 2846086
1-(2,6-Dimethyl-5-hepten-1-yl)-4-piperidinol
CID 2846177
Cambridge id 5429856
CID 783454
1-(3-Cyclohexen-1-ylmethyl)-3-piperidinol
CID 2845911
1-(3-Cyclohexen-1-ylmethyl)-4-piperidinol
CID 2846138
t-Butyl (3r,4s)-4-hydroxy-3-(3-methylbut-2-en-1-yl)piperidine-1-carboxylate
CID 129759215
(E)-5-methyl-6-piperidin-1-ylhex-4-en-2-ol
CID 12446330
3,7-Dimethyl-1-piperidin-1-yloct-6-ene-2,3-diol
CID 13933182
3,7-Dimethyl-1-piperidin-1-yloct-6-ene-1,3-diol
CID 19880290
1,3-Dimethyl-3-prop-2-enylpiperidin-4-ol
CID 20616580
actinium;3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol
CID 20696725
2,4,8-Trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
CID 21487025

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol?
The IUPAC name of (3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol (CID 70596071) is (3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol?
The canonical SMILES for (3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol is CC(C)=CC[C@H]1CN(C)CC[C@H]1O.
What is the InChIKey of (3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol?
The InChIKey is YSDKNWFDPBUBJT-WDEREUQCSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)4-5-10-8-12(3)7-6-11(10)13/h4,10-11,13H,5-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol?
(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol has a molecular weight of 183.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol is sourced from PubChem (CID 70596071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).