4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol

C11H22N2O — CID 146386714

IUPAC4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol
SMILESCC(C)=CCC(O)NC1CCNCC1
InChIInChI=1S/C11H22N2O/c1-9(2)3-4-11(14)13-10-5-7-12-8-6-10/h3,10-14H,4-8H2,1-2H3
InChIKeyURWZAGDEWJKPQE-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.00
Rot. Bonds4

About 4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol

4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol (PubChem CID 146386714) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol
PubChem CID146386714
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol
SMILESCC(C)=CCC(O)NC1CCNCC1
InChIInChI=1S/C11H22N2O/c1-9(2)3-4-11(14)13-10-5-7-12-8-6-10/h3,10-14H,4-8H2,1-2H3
InChIKeyURWZAGDEWJKPQE-UHFFFAOYSA-N
XLogP1.00
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol?
The IUPAC name of 4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol (CID 146386714) is 4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol.
What is the SMILES notation for 4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol?
The canonical SMILES for 4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol is CC(C)=CCC(O)NC1CCNCC1.
What is the InChIKey of 4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol?
The InChIKey is URWZAGDEWJKPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)3-4-11(14)13-10-5-7-12-8-6-10/h3,10-14H,4-8H2,1-2H3.
What are the key properties of 4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol?
4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol has a molecular weight of 198.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol is sourced from PubChem (CID 146386714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).