2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine

C55H82N12O3 — CID 159517481

IUPAC2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine
SMILESCN1CCC(Nc2ccccn2)CC1.CN1CCC(Nc2ccncc2)CC1.CN1CCC(Oc2ccccn2)CC1.CN1CCC(Oc2cccnc2)CC1.CN1CCC(Oc2ccncc2)CC1
InChIInChI=1S/2C11H17N3.3C11H16N2O/c1-14-8-4-11(5-9-14)13-10-2-6-12-7-3-10;1-14-8-5-10(6-9-14)13-11-4-2-3-7-12-11;1-13-8-4-11(5-9-13)14-10-2-6-12-7-3-10;1-13-7-4-10(5-8-13)14-11-3-2-6-12-9-11;1-13-8-5-10(6-9-13)14-11-4-2-3-7-12-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,12,13);2-4,7,10H,5-6,8-9H2,1H3,(H,12,13);2-3,6-7,11H,4-5,8-9H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3;2-4,7,10H,5-6,8-9H2,1H3
InChIKeyMBJSSSYQQJWQHF-UHFFFAOYSA-N
MW959.34 g/mol
LogP7.84
Rot. Bonds10

About 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine

2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine (PubChem CID 159517481) has the molecular formula C55H82N12O3 and a molecular weight of 959.34 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine
PubChem CID159517481
Molecular FormulaC55H82N12O3
Molecular Weight959.34 g/mol
Exact Mass958.66
IUPAC Name2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine
SMILESCN1CCC(Nc2ccccn2)CC1.CN1CCC(Nc2ccncc2)CC1.CN1CCC(Oc2ccccn2)CC1.CN1CCC(Oc2cccnc2)CC1.CN1CCC(Oc2ccncc2)CC1
InChIInChI=1S/2C11H17N3.3C11H16N2O/c1-14-8-4-11(5-9-14)13-10-2-6-12-7-3-10;1-14-8-5-10(6-9-14)13-11-4-2-3-7-12-11;1-13-8-4-11(5-9-13)14-10-2-6-12-7-3-10;1-13-7-4-10(5-8-13)14-11-3-2-6-12-9-11;1-13-8-5-10(6-9-13)14-11-4-2-3-7-12-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,12,13);2-4,7,10H,5-6,8-9H2,1H3,(H,12,13);2-3,6-7,11H,4-5,8-9H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3;2-4,7,10H,5-6,8-9H2,1H3
InChIKeyMBJSSSYQQJWQHF-UHFFFAOYSA-N
XLogP7.84
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.34
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine (CID 159517481) is 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine is CN1CCC(Nc2ccccn2)CC1.CN1CCC(Nc2ccncc2)CC1.CN1CCC(Oc2ccccn2)CC1.CN1CCC(Oc2cccnc2)CC1.CN1CCC(Oc2ccncc2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine?
The InChIKey is MBJSSSYQQJWQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17N3.3C11H16N2O/c1-14-8-4-11(5-9-14)13-10-2-6-12-7-3-10;1-14-8-5-10(6-9-14)13-11-4-2-3-7-12-11;1-13-8-4-11(5-9-13)14-10-2-6-12-7-3-10;1-13-7-4-10(5-8-13)14-11-3-2-6-12-9-11;1-13-8-5-10(6-9-13)14-11-4-2-3-7-12-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,12,13);2-4,7,10H,5-6,8-9H2,1H3,(H,12,13);2-3,6-7,11H,4-5,8-9H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3;2-4,7,10H,5-6,8-9H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine?
2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine has a molecular weight of 959.34 g/mol, XLogP of 7.84, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxypyridine;3-(1-methylpiperidin-4-yl)oxypyridine;4-(1-methylpiperidin-4-yl)oxypyridine;N-(1-methylpiperidin-4-yl)pyridin-2-amine;N-(1-methylpiperidin-4-yl)pyridin-4-amine is sourced from PubChem (CID 159517481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).