4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine

C13H24N4 — CID 154490821

IUPAC4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine
SMILESCCCN1CCC(C2(N)C=CN=C(N)C2)CC1
InChIInChI=1S/C13H24N4/c1-2-7-17-8-3-11(4-9-17)13(15)5-6-16-12(14)10-13/h5-6,11H,2-4,7-10,15H2,1H3,(H2,14,16)
InChIKeyCDTCYCZOIVPADO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.08
Rot. Bonds3

About 4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine

4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine (PubChem CID 154490821) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine
PubChem CID154490821
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine
SMILESCCCN1CCC(C2(N)C=CN=C(N)C2)CC1
InChIInChI=1S/C13H24N4/c1-2-7-17-8-3-11(4-9-17)13(15)5-6-16-12(14)10-13/h5-6,11H,2-4,7-10,15H2,1H3,(H2,14,16)
InChIKeyCDTCYCZOIVPADO-UHFFFAOYSA-N
XLogP1.08
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine?
The IUPAC name of 4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine (CID 154490821) is 4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine is CCCN1CCC(C2(N)C=CN=C(N)C2)CC1.
What is the InChIKey of 4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine?
The InChIKey is CDTCYCZOIVPADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-2-7-17-8-3-11(4-9-17)13(15)5-6-16-12(14)10-13/h5-6,11H,2-4,7-10,15H2,1H3,(H2,14,16).
What are the key properties of 4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine?
4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpiperidin-4-yl)-3H-pyridine-2,4-diamine is sourced from PubChem (CID 154490821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).