(E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol

C10H20N2O — CID 115016774

IUPAC(E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol
SMILESCN1CCCC(NC/C=C/CO)C1
InChIInChI=1S/C10H20N2O/c1-12-7-4-5-10(9-12)11-6-2-3-8-13/h2-3,10-11,13H,4-9H2,1H3/b3-2+
InChIKeyGASGQWPEYJTBHQ-NSCUHMNNSA-N
MW184.28 g/mol
LogP0.22
Rot. Bonds4

About (E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol

(E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol (PubChem CID 115016774) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol
PubChem CID115016774
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol
SMILESCN1CCCC(NC/C=C/CO)C1
InChIInChI=1S/C10H20N2O/c1-12-7-4-5-10(9-12)11-6-2-3-8-13/h2-3,10-11,13H,4-9H2,1H3/b3-2+
InChIKeyGASGQWPEYJTBHQ-NSCUHMNNSA-N
XLogP0.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-Aminopiperidin-1-yl)prop-2-en-1-ol
CID 123311652
1-[[(3S)-1-prop-1-en-2-ylpiperidin-3-yl]amino]prop-2-en-1-ol
CID 164071324
(E)-4-amino-1-(4-methylpiperazin-1-yl)but-2-en-1-ol
CID 166927748
1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol
CID 170283445
(E)-4-(dimethylamino)-1-(3-methyl-4-propan-2-ylpiperazin-1-yl)but-2-en-1-ol
CID 174260801
(E)-4-piperazin-1-ylbut-2-en-1-ol
CID 115012167
(E)-4-(piperidin-3-ylamino)but-2-en-1-ol
CID 115013772
(E)-4-(piperidin-4-ylamino)but-2-en-1-ol
CID 115013773
(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-en-1-ol
CID 115016775
2-[Piperidin-2-ylmethyl(prop-2-enyl)amino]ethanol
CID 116300539
2-[(1-Prop-2-enylpiperidin-3-yl)amino]ethanol
CID 117004938
(E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol
CID 117273357

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol?
The IUPAC name of (E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol (CID 115016774) is (E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol.
What is the SMILES notation for (E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol?
The canonical SMILES for (E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol is CN1CCCC(NC/C=C/CO)C1.
What is the InChIKey of (E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol?
The InChIKey is GASGQWPEYJTBHQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12-7-4-5-10(9-12)11-6-2-3-8-13/h2-3,10-11,13H,4-9H2,1H3/b3-2+.
What are the key properties of (E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol?
(E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol is sourced from PubChem (CID 115016774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).