2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine

C15H20N4 — CID 129391744

IUPAC2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine
SMILESCC(C)[C@@H]1CN(c2ccc3cccnc3n2)CCN1
InChIInChI=1S/C15H20N4/c1-11(2)13-10-19(9-8-16-13)14-6-5-12-4-3-7-17-15(12)18-14/h3-7,11,13,16H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyUJAGXVVDBSPRNB-ZDUSSCGKSA-N
MW256.35 g/mol
LogP2.06
Rot. Bonds2

About 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine

2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine (PubChem CID 129391744) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine
PubChem CID129391744
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine
SMILESCC(C)[C@@H]1CN(c2ccc3cccnc3n2)CCN1
InChIInChI=1S/C15H20N4/c1-11(2)13-10-19(9-8-16-13)14-6-5-12-4-3-7-17-15(12)18-14/h3-7,11,13,16H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyUJAGXVVDBSPRNB-ZDUSSCGKSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine?
The IUPAC name of 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine (CID 129391744) is 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine?
The canonical SMILES for 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine is CC(C)[C@@H]1CN(c2ccc3cccnc3n2)CCN1.
What is the InChIKey of 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine?
The InChIKey is UJAGXVVDBSPRNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(2)13-10-19(9-8-16-13)14-6-5-12-4-3-7-17-15(12)18-14/h3-7,11,13,16H,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine?
2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine has a molecular weight of 256.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine is sourced from PubChem (CID 129391744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).