4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide

C16H20N4O — CID 43669800

IUPAC4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N1CCC(CO)CC1
InChIInChI=1S/C16H20N4O/c17-16(18)13-9-19-14-4-2-1-3-12(14)15(13)20-7-5-11(10-21)6-8-20/h1-4,9,11,21H,5-8,10H2,(H3,17,18)
InChIKeyDYAMJRYEDSCKPN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.73
Rot. Bonds3

About 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide

4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide (PubChem CID 43669800) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide
PubChem CID43669800
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N1CCC(CO)CC1
InChIInChI=1S/C16H20N4O/c17-16(18)13-9-19-14-4-2-1-3-12(14)15(13)20-7-5-11(10-21)6-8-20/h1-4,9,11,21H,5-8,10H2,(H3,17,18)
InChIKeyDYAMJRYEDSCKPN-UHFFFAOYSA-N
XLogP1.73
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide?
The IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide (CID 43669800) is 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide?
The canonical SMILES for 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1N1CCC(CO)CC1.
What is the InChIKey of 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide?
The InChIKey is DYAMJRYEDSCKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(18)13-9-19-14-4-2-1-3-12(14)15(13)20-7-5-11(10-21)6-8-20/h1-4,9,11,21H,5-8,10H2,(H3,17,18).
What are the key properties of 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide?
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide is sourced from PubChem (CID 43669800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).