1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine

C12H22N4 — CID 174934623

IUPAC1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine
SMILESNC1=CN(CCC2CCNCC2)C(N)C=C1
InChIInChI=1S/C12H22N4/c13-11-1-2-12(14)16(9-11)8-5-10-3-6-15-7-4-10/h1-2,9-10,12,15H,3-8,13-14H2
InChIKeyHLIMMRSJALRBDM-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.33
Rot. Bonds3

About 1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine

1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine (PubChem CID 174934623) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine.

Molecular Properties

Compound Name1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine
PubChem CID174934623
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine
SMILESNC1=CN(CCC2CCNCC2)C(N)C=C1
InChIInChI=1S/C12H22N4/c13-11-1-2-12(14)16(9-11)8-5-10-3-6-15-7-4-10/h1-2,9-10,12,15H,3-8,13-14H2
InChIKeyHLIMMRSJALRBDM-UHFFFAOYSA-N
XLogP0.33
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine?
The IUPAC name of 1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine (CID 174934623) is 1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine.
What is the SMILES notation for 1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine?
The canonical SMILES for 1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine is NC1=CN(CCC2CCNCC2)C(N)C=C1.
What is the InChIKey of 1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine?
The InChIKey is HLIMMRSJALRBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c13-11-1-2-12(14)16(9-11)8-5-10-3-6-15-7-4-10/h1-2,9-10,12,15H,3-8,13-14H2.
What are the key properties of 1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine?
1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine has a molecular weight of 222.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylethyl)-2H-pyridine-2,5-diamine is sourced from PubChem (CID 174934623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).