3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine

C15H25N3O2 — CID 79736901

IUPAC3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCOc1cccc(CN2CCC(OCCCN)CC2)n1
InChIInChI=1S/C15H25N3O2/c1-19-15-5-2-4-13(17-15)12-18-9-6-14(7-10-18)20-11-3-8-16/h2,4-5,14H,3,6-12,16H2,1H3
InChIKeyBEZOXQRDTVBMAN-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.42
Rot. Bonds7

About 3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine

3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79736901) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79736901
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCOc1cccc(CN2CCC(OCCCN)CC2)n1
InChIInChI=1S/C15H25N3O2/c1-19-15-5-2-4-13(17-15)12-18-9-6-14(7-10-18)20-11-3-8-16/h2,4-5,14H,3,6-12,16H2,1H3
InChIKeyBEZOXQRDTVBMAN-UHFFFAOYSA-N
XLogP1.42
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine (CID 79736901) is 3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine is COc1cccc(CN2CCC(OCCCN)CC2)n1.
What is the InChIKey of 3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is BEZOXQRDTVBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-19-15-5-2-4-13(17-15)12-18-9-6-14(7-10-18)20-11-3-8-16/h2,4-5,14H,3,6-12,16H2,1H3.
What are the key properties of 3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79736901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).