3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol

C12H24N2O — CID 4711594

IUPAC3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol
SMILESC=CCC1(NCCCO)CCN(C)CC1
InChIInChI=1S/C12H24N2O/c1-3-5-12(13-8-4-11-15)6-9-14(2)10-7-12/h3,13,15H,1,4-11H2,2H3
InChIKeySOXCMVMCVFKHKJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds6

About 3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol

3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol (PubChem CID 4711594) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol
PubChem CID4711594
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol
SMILESC=CCC1(NCCCO)CCN(C)CC1
InChIInChI=1S/C12H24N2O/c1-3-5-12(13-8-4-11-15)6-9-14(2)10-7-12/h3,13,15H,1,4-11H2,2H3
InChIKeySOXCMVMCVFKHKJ-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol (CID 4711594) is 3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol is C=CCC1(NCCCO)CCN(C)CC1.
What is the InChIKey of 3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol?
The InChIKey is SOXCMVMCVFKHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-12(13-8-4-11-15)6-9-14(2)10-7-12/h3,13,15H,1,4-11H2,2H3.
What are the key properties of 3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol?
3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 4711594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).