2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol

C15H25N3O2 — CID 79731898

IUPAC2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCC(OCCCN)CC2)n1
InChIInChI=1S/C15H25N3O2/c1-12-3-4-15(19)14(17-12)11-18-8-5-13(6-9-18)20-10-2-7-16/h3-4,13,19H,2,5-11,16H2,1H3
InChIKeyYNVVKOZFJJSVOB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.43
Rot. Bonds6

About 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol

2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 79731898) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID79731898
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCC(OCCCN)CC2)n1
InChIInChI=1S/C15H25N3O2/c1-12-3-4-15(19)14(17-12)11-18-8-5-13(6-9-18)20-10-2-7-16/h3-4,13,19H,2,5-11,16H2,1H3
InChIKeyYNVVKOZFJJSVOB-UHFFFAOYSA-N
XLogP1.43
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82982184
2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82976559
2-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 80550845
2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 120781556
3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79732216
2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol
CID 82981092
3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736901
3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732218
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 82979654
2-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 97332182
3-[1-[(3-bromothiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736578

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol (CID 79731898) is 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN2CCC(OCCCN)CC2)n1.
What is the InChIKey of 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is YNVVKOZFJJSVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-3-4-15(19)14(17-12)11-18-8-5-13(6-9-18)20-10-2-7-16/h3-4,13,19H,2,5-11,16H2,1H3.
What are the key properties of 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 279.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79731898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).