1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol

C9H18N2O — CID 103069751

IUPAC1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol
SMILESC=C(CN)CN1CCCC(O)C1
InChIInChI=1S/C9H18N2O/c1-8(5-10)6-11-4-2-3-9(12)7-11/h9,12H,1-7,10H2
InChIKeyODKBVWJRXQCLNB-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.04
Rot. Bonds3

About 1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol

1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol (PubChem CID 103069751) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol
PubChem CID103069751
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol
SMILESC=C(CN)CN1CCCC(O)C1
InChIInChI=1S/C9H18N2O/c1-8(5-10)6-11-4-2-3-9(12)7-11/h9,12H,1-7,10H2
InChIKeyODKBVWJRXQCLNB-UHFFFAOYSA-N
XLogP-0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.04
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 1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol (CID 103069751) is 1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol is C=C(CN)CN1CCCC(O)C1.
What is the InChIKey of 1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol?
The InChIKey is ODKBVWJRXQCLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(5-10)6-11-4-2-3-9(12)7-11/h9,12H,1-7,10H2.
What are the key properties of 1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol?
1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol is sourced from PubChem (CID 103069751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).