(E)-4-(piperidin-3-ylamino)but-2-en-1-ol

C9H18N2O — CID 115013772

IUPAC(E)-4-(piperidin-3-ylamino)but-2-en-1-ol
SMILESOC/C=C/CNC1CCCNC1
InChIInChI=1S/C9H18N2O/c12-7-2-1-6-11-9-4-3-5-10-8-9/h1-2,9-12H,3-8H2/b2-1+
InChIKeyDNPBKSXUFRZLQG-OWOJBTEDSA-N
MW170.26 g/mol
LogP-0.12
Rot. Bonds4

About (E)-4-(piperidin-3-ylamino)but-2-en-1-ol

(E)-4-(piperidin-3-ylamino)but-2-en-1-ol (PubChem CID 115013772) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (E)-4-(piperidin-3-ylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(piperidin-3-ylamino)but-2-en-1-ol
PubChem CID115013772
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(E)-4-(piperidin-3-ylamino)but-2-en-1-ol
SMILESOC/C=C/CNC1CCCNC1
InChIInChI=1S/C9H18N2O/c12-7-2-1-6-11-9-4-3-5-10-8-9/h1-2,9-12H,3-8H2/b2-1+
InChIKeyDNPBKSXUFRZLQG-OWOJBTEDSA-N
XLogP-0.12
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperidine;prop-2-en-1-ol
CID 118523561
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
1-[(3S)-3-methylpiperazin-1-yl]prop-2-en-1-ol
CID 170283445
(E)-4-(cyclopentylamino)but-2-en-1-ol
CID 115012080
(E)-4-piperazin-1-ylbut-2-en-1-ol
CID 115012167
(E)-4-(cyclohexylamino)but-2-en-1-ol
CID 115013644
(E)-4-(piperidin-4-ylamino)but-2-en-1-ol
CID 115013773
(E)-4-[(1-methylpiperidin-3-yl)amino]but-2-en-1-ol
CID 115016774
(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

Frequently Asked Questions

What is the IUPAC name of (E)-4-(piperidin-3-ylamino)but-2-en-1-ol?
The IUPAC name of (E)-4-(piperidin-3-ylamino)but-2-en-1-ol (CID 115013772) is (E)-4-(piperidin-3-ylamino)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(piperidin-3-ylamino)but-2-en-1-ol?
The canonical SMILES for (E)-4-(piperidin-3-ylamino)but-2-en-1-ol is OC/C=C/CNC1CCCNC1.
What is the InChIKey of (E)-4-(piperidin-3-ylamino)but-2-en-1-ol?
The InChIKey is DNPBKSXUFRZLQG-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H18N2O/c12-7-2-1-6-11-9-4-3-5-10-8-9/h1-2,9-12H,3-8H2/b2-1+.
What are the key properties of (E)-4-(piperidin-3-ylamino)but-2-en-1-ol?
(E)-4-(piperidin-3-ylamino)but-2-en-1-ol has a molecular weight of 170.26 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(piperidin-3-ylamino)but-2-en-1-ol is sourced from PubChem (CID 115013772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).