4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol

C10H20N2O — CID 122358722

IUPAC4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol
SMILESC/C=C/CN1CCC(O)(CN)CC1
InChIInChI=1S/C10H20N2O/c1-2-3-6-12-7-4-10(13,9-11)5-8-12/h2-3,13H,4-9,11H2,1H3/b3-2+
InChIKeyMPIODXNKSYZJBR-NSCUHMNNSA-N
MW184.28 g/mol
LogP0.35
Rot. Bonds3

About 4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol

4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol (PubChem CID 122358722) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol
PubChem CID122358722
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol
SMILESC/C=C/CN1CCC(O)(CN)CC1
InChIInChI=1S/C10H20N2O/c1-2-3-6-12-7-4-10(13,9-11)5-8-12/h2-3,13H,4-9,11H2,1H3/b3-2+
InChIKeyMPIODXNKSYZJBR-NSCUHMNNSA-N
XLogP0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol (CID 122358722) is 4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol is C/C=C/CN1CCC(O)(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol?
The InChIKey is MPIODXNKSYZJBR-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-3-6-12-7-4-10(13,9-11)5-8-12/h2-3,13H,4-9,11H2,1H3/b3-2+.
What are the key properties of 4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol?
4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol has a molecular weight of 184.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol is sourced from PubChem (CID 122358722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).