6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol

C16H26N4O2 — CID 166959601

IUPAC6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol
SMILESNC1CCCN(CCCCCc2ccc(O)c(C=NO)n2)C1
InChIInChI=1S/C16H26N4O2/c17-13-5-4-10-20(12-13)9-3-1-2-6-14-7-8-16(21)15(19-14)11-18-22/h7-8,11,13,21-22H,1-6,9-10,12,17H2
InChIKeyYLTDZTTVXLGTEW-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.73
Rot. Bonds7

About 6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol

6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol (PubChem CID 166959601) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol
PubChem CID166959601
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol
SMILESNC1CCCN(CCCCCc2ccc(O)c(C=NO)n2)C1
InChIInChI=1S/C16H26N4O2/c17-13-5-4-10-20(12-13)9-3-1-2-6-14-7-8-16(21)15(19-14)11-18-22/h7-8,11,13,21-22H,1-6,9-10,12,17H2
InChIKeyYLTDZTTVXLGTEW-UHFFFAOYSA-N
XLogP1.73
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-hydroxyiminomethyl]-6-(4-piperazin-1-ylbutyl)pyridin-3-ol
CID 162753305
2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol
CID 170191508
2-ethenyl-6-[4-(4-methylpiperidin-1-yl)butyl]pyridin-3-ol
CID 170191507
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
methyl 3-hydroxy-6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]pyridine-2-carboxylate
CID 166959603
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
(3S)-1-[6-(methylamino)hexyl]piperidin-3-amine
CID 175905935
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol
CID 61297189
(3R)-1-but-3-enylpiperidin-3-amine
CID 102977540

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol?
The IUPAC name of 6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol (CID 166959601) is 6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol.
What is the SMILES notation for 6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol?
The canonical SMILES for 6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol is NC1CCCN(CCCCCc2ccc(O)c(C=NO)n2)C1.
What is the InChIKey of 6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol?
The InChIKey is YLTDZTTVXLGTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c17-13-5-4-10-20(12-13)9-3-1-2-6-14-7-8-16(21)15(19-14)11-18-22/h7-8,11,13,21-22H,1-6,9-10,12,17H2.
What are the key properties of 6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol?
6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol has a molecular weight of 306.41 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-aminopiperidin-1-yl)pentyl]-2-(hydroxyiminomethyl)pyridin-3-ol is sourced from PubChem (CID 166959601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).