1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine

C12H20N4 — CID 69067290

IUPAC1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine
SMILESCC(N)CC1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H20N4/c1-10(13)9-11-3-7-16(8-4-11)12-14-5-2-6-15-12/h2,5-6,10-11H,3-4,7-9,13H2,1H3
InChIKeyGMBLAJJTTHUKDD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.43
Rot. Bonds3

About 1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine

1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine (PubChem CID 69067290) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine
PubChem CID69067290
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine
SMILESCC(N)CC1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H20N4/c1-10(13)9-11-3-7-16(8-4-11)12-14-5-2-6-15-12/h2,5-6,10-11H,3-4,7-9,13H2,1H3
InChIKeyGMBLAJJTTHUKDD-UHFFFAOYSA-N
XLogP1.43
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine?
The IUPAC name of 1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine (CID 69067290) is 1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine?
The canonical SMILES for 1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine is CC(N)CC1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine?
The InChIKey is GMBLAJJTTHUKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(13)9-11-3-7-16(8-4-11)12-14-5-2-6-15-12/h2,5-6,10-11H,3-4,7-9,13H2,1H3.
What are the key properties of 1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine?
1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine is sourced from PubChem (CID 69067290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).