4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol

C13H24N2O — CID 71005542

IUPAC4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol
SMILESCC1(C2CC(CN)=CCC2O)CCNCC1
InChIInChI=1S/C13H24N2O/c1-13(4-6-15-7-5-13)11-8-10(9-14)2-3-12(11)16/h2,11-12,15-16H,3-9,14H2,1H3
InChIKeyUUTKDSFVHUJDKF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.03
Rot. Bonds2

About 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol

4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol (PubChem CID 71005542) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol
PubChem CID71005542
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol
SMILESCC1(C2CC(CN)=CCC2O)CCNCC1
InChIInChI=1S/C13H24N2O/c1-13(4-6-15-7-5-13)11-8-10(9-14)2-3-12(11)16/h2,11-12,15-16H,3-9,14H2,1H3
InChIKeyUUTKDSFVHUJDKF-UHFFFAOYSA-N
XLogP1.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
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)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol?
The IUPAC name of 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol (CID 71005542) is 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol?
The canonical SMILES for 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol is CC1(C2CC(CN)=CCC2O)CCNCC1.
What is the InChIKey of 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol?
The InChIKey is UUTKDSFVHUJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(4-6-15-7-5-13)11-8-10(9-14)2-3-12(11)16/h2,11-12,15-16H,3-9,14H2,1H3.
What are the key properties of 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol?
4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol has a molecular weight of 224.35 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(4-methylpiperidin-4-yl)cyclohex-3-en-1-ol is sourced from PubChem (CID 71005542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).