[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine

C13H20ClN3O — CID 112622776

IUPAC[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2ccncc2Cl)C(CN)C1
InChIInChI=1S/C13H20ClN3O/c1-18-12-3-5-17(11(6-12)7-15)9-10-2-4-16-8-13(10)14/h2,4,8,11-12H,3,5-7,9,15H2,1H3
InChIKeyVFKYBTCUSOKSFA-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.67
Rot. Bonds4

About [1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine

[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 112622776) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is [1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID112622776
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2ccncc2Cl)C(CN)C1
InChIInChI=1S/C13H20ClN3O/c1-18-12-3-5-17(11(6-12)7-15)9-10-2-4-16-8-13(10)14/h2,4,8,11-12H,3,5-7,9,15H2,1H3
InChIKeyVFKYBTCUSOKSFA-UHFFFAOYSA-N
XLogP1.67
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine (CID 112622776) is [1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine is COC1CCN(Cc2ccncc2Cl)C(CN)C1.
What is the InChIKey of [1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is VFKYBTCUSOKSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-18-12-3-5-17(11(6-12)7-15)9-10-2-4-16-8-13(10)14/h2,4,8,11-12H,3,5-7,9,15H2,1H3.
What are the key properties of [1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine?
[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 269.78 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 112622776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).