(E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol

C10H19NO — CID 143122659

IUPAC(E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol
SMILESC/C=C/C(O)N1CCC(C)CC1
InChIInChI=1S/C10H19NO/c1-3-4-10(12)11-7-5-9(2)6-8-11/h3-4,9-10,12H,5-8H2,1-2H3/b4-3+
InChIKeyMNNSCKIOSBIJGR-ONEGZZNKSA-N
MW169.27 g/mol
LogP1.61
Rot. Bonds2

About (E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol

(E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol (PubChem CID 143122659) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol
PubChem CID143122659
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol
SMILESC/C=C/C(O)N1CCC(C)CC1
InChIInChI=1S/C10H19NO/c1-3-4-10(12)11-7-5-9(2)6-8-11/h3-4,9-10,12H,5-8H2,1-2H3/b4-3+
InChIKeyMNNSCKIOSBIJGR-ONEGZZNKSA-N
XLogP1.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.61
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

2-[4-[[Methyl(3-methylbut-2-enyl)amino]methyl]piperidin-1-yl]ethanol
CID 53620515
(Z)-4-piperidin-1-ylbut-2-en-1-ol
CID 10997269
(2E)-4-(1-piperidinyl)-2-buten-1-ol
CID 13116359
4-Piperidin-1-ylbut-2-en-1-ol
CID 54195859
1-Piperidin-1-ylbut-2-en-1-ol
CID 69342629
3-(1-Methylpiperidin-4-yl)prop-2-en-1-ol
CID 115012078
1-(4-Propan-2-ylpiperidin-1-yl)prop-2-en-1-ol
CID 135134247
2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol
CID 142215769
1-(4-Methylpiperidin-1-yl)prop-2-en-1-ol
CID 143928892
4-(2-Methylpiperidin-1-yl)but-2-en-1-ol
CID 154150434
1-[(3S)-1,3-dimethylpiperidin-1-ium-1-yl]prop-2-en-1-ol
CID 156867604
1-(3-Methylpiperidin-1-yl)prop-2-en-1-ol
CID 166841023

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol?
The IUPAC name of (E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol (CID 143122659) is (E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol?
The canonical SMILES for (E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol is C/C=C/C(O)N1CCC(C)CC1.
What is the InChIKey of (E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol?
The InChIKey is MNNSCKIOSBIJGR-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-10(12)11-7-5-9(2)6-8-11/h3-4,9-10,12H,5-8H2,1-2H3/b4-3+.
What are the key properties of (E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol?
(E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylpiperidin-1-yl)but-2-en-1-ol is sourced from PubChem (CID 143122659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).