(4-pyridin-3-ylpiperidin-4-yl)methanamine

C11H17N3 — CID 80522475

IUPAC(4-pyridin-3-ylpiperidin-4-yl)methanamine
SMILESNCC1(c2cccnc2)CCNCC1
InChIInChI=1S/C11H17N3/c12-9-11(3-6-13-7-4-11)10-2-1-5-14-8-10/h1-2,5,8,13H,3-4,6-7,9,12H2
InChIKeyOFHCFUFAPAACAB-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.66
Rot. Bonds2

About (4-pyridin-3-ylpiperidin-4-yl)methanamine

(4-pyridin-3-ylpiperidin-4-yl)methanamine (PubChem CID 80522475) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (4-pyridin-3-ylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(4-pyridin-3-ylpiperidin-4-yl)methanamine
PubChem CID80522475
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(4-pyridin-3-ylpiperidin-4-yl)methanamine
SMILESNCC1(c2cccnc2)CCNCC1
InChIInChI=1S/C11H17N3/c12-9-11(3-6-13-7-4-11)10-2-1-5-14-8-10/h1-2,5,8,13H,3-4,6-7,9,12H2
InChIKeyOFHCFUFAPAACAB-UHFFFAOYSA-N
XLogP0.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-ylpiperidin-4-yl)methanamine?
The IUPAC name of (4-pyridin-3-ylpiperidin-4-yl)methanamine (CID 80522475) is (4-pyridin-3-ylpiperidin-4-yl)methanamine.
What is the SMILES notation for (4-pyridin-3-ylpiperidin-4-yl)methanamine?
The canonical SMILES for (4-pyridin-3-ylpiperidin-4-yl)methanamine is NCC1(c2cccnc2)CCNCC1.
What is the InChIKey of (4-pyridin-3-ylpiperidin-4-yl)methanamine?
The InChIKey is OFHCFUFAPAACAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-9-11(3-6-13-7-4-11)10-2-1-5-14-8-10/h1-2,5,8,13H,3-4,6-7,9,12H2.
What are the key properties of (4-pyridin-3-ylpiperidin-4-yl)methanamine?
(4-pyridin-3-ylpiperidin-4-yl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-ylpiperidin-4-yl)methanamine is sourced from PubChem (CID 80522475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).