(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine

C11H17N3O — CID 69206304

IUPAC(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
SMILESCOc1cncc(N2CCC[C@H](N)C2)c1
InChIInChI=1S/C11H17N3O/c1-15-11-5-10(6-13-7-11)14-4-2-3-9(12)8-14/h5-7,9H,2-4,8,12H2,1H3/t9-/m0/s1
InChIKeyACJFCOVBTYKNSA-VIFPVBQESA-N
MW207.28 g/mol
LogP1.02
Rot. Bonds2

About (3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine

(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine (PubChem CID 69206304) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
PubChem CID69206304
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
SMILESCOc1cncc(N2CCC[C@H](N)C2)c1
InChIInChI=1S/C11H17N3O/c1-15-11-5-10(6-13-7-11)14-4-2-3-9(12)8-14/h5-7,9H,2-4,8,12H2,1H3/t9-/m0/s1
InChIKeyACJFCOVBTYKNSA-VIFPVBQESA-N
XLogP1.02
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine (CID 69206304) is (3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine is COc1cncc(N2CCC[C@H](N)C2)c1.
What is the InChIKey of (3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine?
The InChIKey is ACJFCOVBTYKNSA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O/c1-15-11-5-10(6-13-7-11)14-4-2-3-9(12)8-14/h5-7,9H,2-4,8,12H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine?
(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine has a molecular weight of 207.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine is sourced from PubChem (CID 69206304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).