N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine

C13H22N4 — CID 63854921

IUPACN-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine
SMILESCCNC(C)C1CCCCN1c1ncccn1
InChIInChI=1S/C13H22N4/c1-3-14-11(2)12-7-4-5-10-17(12)13-15-8-6-9-16-13/h6,8-9,11-12,14H,3-5,7,10H2,1-2H3
InChIKeyTWHBQBNFSDYMFN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.83
Rot. Bonds4

About N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine

N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine (PubChem CID 63854921) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine
PubChem CID63854921
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine
SMILESCCNC(C)C1CCCCN1c1ncccn1
InChIInChI=1S/C13H22N4/c1-3-14-11(2)12-7-4-5-10-17(12)13-15-8-6-9-16-13/h6,8-9,11-12,14H,3-5,7,10H2,1-2H3
InChIKeyTWHBQBNFSDYMFN-UHFFFAOYSA-N
XLogP1.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine (CID 63854921) is N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine is CCNC(C)C1CCCCN1c1ncccn1.
What is the InChIKey of N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine?
The InChIKey is TWHBQBNFSDYMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-14-11(2)12-7-4-5-10-17(12)13-15-8-6-9-16-13/h6,8-9,11-12,14H,3-5,7,10H2,1-2H3.
What are the key properties of N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine?
N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 63854921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).